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• PHENYLACETYLENE (CAS: 536-73-3)

• Phenylpropiolic acid

IUPAC Name: 3-phenylprop-2-ynoic acid | CAS Registry Number: 637-44-5
Synonyms: Phenylpropynoic acid, 3-Phenylpropiolic acid, 3-Phenylpropynoic acid, Phenylacetylenecarboxylic acid, Propiolic acid, phenyl-, 3-Phenyl-2-propynoic acid, Propiolic acid, 3-phenyl-, 3-phenylprop-2-ynoic acid, 2-Propynoic acid, 3-phenyl-, P31205_ALDRICH, Phenylacetylene monocarboxylic acid, 78982_FLUKA, Propiolic acid, phenyl- (8CI), ALBB-000973, NSC13669, EINECS 211-285-8, NSC 13669, AI3-17875, ST5208978, TL8004472

Molecular Formula:	C₉H₆O₂	Molecular Weight:	146.142740 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: XNERWVPQCYSMLC-UHFFFAOYSA-N

• Propargyl Bromide

IUPAC Name: 3-bromoprop-1-yne | CAS Registry Number: 106-96-7
Synonyms: Propynyl bromide, 3-Bromopropyne, 3-Bromo-1-propyne, Propyne, 3-bromo-, Gamma-bromoallylene, 2-Propynyl bromide, 1-Propyne, 3-bromo-, 1-Bromo-2-propyne, PROPARGYL BROMIDE, Caswell No. 705, .gamma.-Bromoallylene, 1-Brom-2-propin [Czech], Propargyl bromide solution, WLN: E2UU1, P51001_ALDRICH, HSDB 6324, 530409_ALDRICH, NSC 8801, EINECS 203-447-1, CID7842

Molecular Formula:	C₃H₃Br	Molecular Weight:	118.959920 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: YORCIIVHUBAYBQ-UHFFFAOYSA-N

• Propiolic Acid

IUPAC Name: prop-2-ynoic acid | CAS Registry Number: 471-25-0
Synonyms: Propynoic acid, PROPIOLIC ACID, Carboxyacetylene, Propargylic acid, 2-Propynoic acid, Acetylenecarboxylic acid, ynoate, ynoates, Propiolsaeure, Propinsaeure, Propynoate, propinic acid, ynoate esters, ynoate ester, prop-2-ynoic acid, HC.equiv.CCOOH, Acetylenemonocarboxylate, HC#CCOOH, HC.$.CCOOH, P51400_ALDRICH

Molecular Formula:	C₃H₂O₂	Molecular Weight:	70.046780 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: UORVCLMRJXCDCP-UHFFFAOYSA-N

• Propiolic acid methyl ester

IUPAC Name: methyl prop-2-ynoate | CAS Registry Number: 922-67-8
Synonyms: Methyl propynoate, METHYL PROPIOLATE, Methyl ethynecarboxylate, Methyl acetylenecarboxylate, Propiolic acid, methyl ester, 2-Propynoic acid, methyl ester, Propynoic acid, methyl ester, 171859_ALDRICH, 81863_FLUKA, EINECS 213-083-5, Acetylenecarboxylic acid methyl ester, NSC 154164, ALBB-008926, BRN 0605462, NSC154164, ZINC01564788, AI3-37828, 2-Propynoic acid, methyl ester (9CI), SB 01817, LS-123962

Molecular Formula:	C₄H₄O₂	Molecular Weight:	84.073360 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: IMAKHNTVDGLIRY-UHFFFAOYSA-N

• Propynoic Acid Amide

IUPAC Name: prop-2-ynamide | CAS Registry Number: 7341-96-0
Synonyms: Propiolamide, 2-Propynamide, prop-2-ynamide, propiolic acid amide, HC.equiv.CCONH2, HC.$.CCONH2, CHEBI:51764, NSC520954, CID101445, ZINC01604909

Molecular Formula:	C₃H₃NO	Molecular Weight:	69.062020 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: HCJTYESURSHXNB-UHFFFAOYSA-N

• SPDP

IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-pyridin-2-yldisulfanylpropanoate | CAS Registry Number: 68181-17-9
Synonyms: BICL210, P3415_SIGMA, Nonsymmetrical disulfide analog, NSC677449, AIDS032895, AIDS-032895, EINECS 269-034-3, CID100682, NSC344485, N-Succinimidyl 3-(2-pyridyldithio)propionate, Succinimidyl 3-(2-pyridyldithio)propionate, 3-(2-Pyridyldithio)propionic acid N-hydroxysuccinimide ester, 1-(1-Oxo-3-(2-pyridyldithio)propoxy)pyrrolidine-2,5-dione, 2,5-Pyrrolidinedione, 1-(1-oxo-3-(2-pyridinyldithio)propoxy)-, 3-(2-PYRIDYLDITHIO)-PROPIONIC ACID N-HYDROXYSUCCINIMIDE ESTER

Molecular Formula:	C₁₂H₁₂N₂O₄S₂	Molecular Weight:	312.364680 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: JWDFQMWEFLOOED-UHFFFAOYSA-N

• tert-Butyl propiolate

IUPAC Name: tert-butyl prop-2-ynoate | CAS Registry Number: 13831-03-3
Synonyms: Propiolic acid tert-butyl ester, tert-butyl prop-2-ynoate, tert-Butyl acetylenecarboxylate, AG-D-77538, AC1LBVHY, ACMC-209chj, KSC490A4R, 419885_ALDRICH, 81862_FLUKA, CTK3J0048, MolPort-003-932-451, Propargylic Acid tert-Butyl Ester, ACT08467, ANW-20453, RW2038, SBB067435, ZINC00391907, AKOS005259870, AK-47831, KB-61410

Molecular Formula:	C₇H₁₀O₂	Molecular Weight:	126.153100 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: XGTPDIIFEPTULX-UHFFFAOYSA-N

• Thiazole-2-carboxylic acid

IUPAC Name: 1,3-thiazole-2-carboxylic acid | CAS Registry Number: 14190-59-1
Synonyms: 1,3-thiazole-2-carboxylic Acid, 2-Carboxy-1,3-thiazole, SBB053122, 14190-59-1 Thiazole-2-carboxylic acid, PubChem16257, 2-CARBOXYTHIAZOLE, ACMC-209cn5, SureCN121301, AC1MC79L, KSC173Q4L, AC1Q744P, 2-THIAZOLECARBOXYLIC ACID, CTK0H3845, MolPort-000-142-377, ANW-20655, HT1065, WT1959, WTI-10220, WTI-11917, AKOS005169248

Molecular Formula:	C₄H₃NO₂S	Molecular Weight:	129.137120 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: IJVLVRYLIMQVDD-UHFFFAOYSA-N

• TNCA

IUPAC Name: (3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid | CAS Registry Number: 42438-90-4
Synonyms: Maybridge1_002151, CYCLOMETHYLTRYPTOPHAN, CID449440, AL351-1, L-1,2,3,4-Tetrahydronorharman-3-carboxylic acid, TCR

Molecular Formula:	C₁₂H₁₂N₂O₂	Molecular Weight:	216.235880 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: FSNCEEGOMTYXKY-JTQLQIEISA-N

• Trans-1-Boc-4-(4-nitrophenyl)pyrrolidine-3-carboxylic acid

IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(4-nitrophenyl)pyrrolidine-3-carboxylic acid | CAS Registry Number: 959579-94-3
Synonyms: A845515, Boc-(trans-4-(4-nitro-phenyl)-pyrrolidine-3-carboxylic acid, 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-(4-nitrophenyl)-3-pyrrolidinecarboxylic acid, 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(4-nitrophenyl)pyrrolidine-3-carboxylic acid

Molecular Formula:	C₁₆H₂₀N₂O₆	Molecular Weight:	336.339800 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: GSPFANURARKSQW-UHFFFAOYSA-N

• trans-4-Hydroxy-D-proline

IUPAC Name: 4-hydroxypyrrolidine-2-carboxylic acid | CAS Registry Number: 3398-22-9
Synonyms: hydroxyproline, 4-hydroxyproline, cis-Hydroxyproline, 1-Hydroxy-L-proline, L-Allohydroxyproline, cis-4-hydroxyproline, allo-L-Hydroxyproline, allo-4-Hydroxyproline, Proline, 4-hydroxy-, cis-4-Hydroxy-L-proline, Poly(l-Hydroxyproline), allo-4-Hydroxy-L-proline, nchembio.155-comp21, L-Proline, 1-hydroxy-, cis-4-Hydroxy-D-proline, L-Proline, allo-hydroxy-, D-Proline, 4-hydroxy-, cis-, L-Proline, 4-hydroxy-, trans-, L-Proline, 4-hydroxy-, cis-, Proline, 4-allo-hydroxy-, L-

Molecular Formula:	C₅H₉NO₃	Molecular Weight:	131.129860 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: PMMYEEVYMWASQN-UHFFFAOYSA-N

• Tributyl Phosphine

IUPAC Name: tributylphosphane | CAS Registry Number: 998-40-3
Synonyms: Tributylphosphine, Phosphine, tributyl-, Tri-n-butylphosphine, Tris(butyl)phosphine, Tributylphosphane, Tributylfosfin [Czech], PBu(n)3, Tributylphosphine solution, TRI-N-BUTYLPHOPHINE, NCIOpen2_005716, T49484_ALDRICH, T7567_SIGMA, 90827_FLUKA, EINECS 213-651-2, NSC 91700, UN3254, NSC91700, BRN 1738261, AI3-28071, LS-106081

Molecular Formula:	C₁₂H₂₇P	Molecular Weight:	202.316541 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: TUQOTMZNTHZOKS-UHFFFAOYSA-N

• Tricyclohexylphosphine

IUPAC Name: tricyclohexylphosphane | CAS Registry Number: 2622-14-2
Synonyms: Phosphine, tricyclohexyl-, nchem.167-comp11, TRICYCLOHEXYL PHOSPHINE, Tricyclohexylphosphine solution, 261971_ALDRICH, 455164_ALDRICH, 592285_ALDRICH, 592390_ALDRICH, EINECS 220-069-2, NSC158657, NSC 158657, ST5405754

Molecular Formula:	C₁₈H₃₃P	Molecular Weight:	280.428381 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: WLPUWLXVBWGYMZ-UHFFFAOYSA-N

• Trimethylphosphine

IUPAC Name: trimethylphosphane | CAS Registry Number: 594-09-2
Synonyms: Trimethyl phosphine, trimethylphosphane, Phosphine, trimethyl-, Trimethylphosphorus, Me3P, PMe3, Trimethylphosphine solution, 323322_ALDRICH, 324108_ALDRICH, 324116_ALDRICH, CHEBI:35890, (CH3)3P, MolPort-003-930-033, CID68983, EINECS 209-823-1, InChI=1/C3H9P/c1-4(2)3/h1-3H

Molecular Formula:	C₃H₉P	Molecular Weight:	76.077321 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: YWWDBCBWQNCYNR-UHFFFAOYSA-N

• Trimethylsilyl Acetylene

IUPAC Name: ethynyl(trimethyl)silane | CAS Registry Number: 1066-54-2
Synonyms: Trimethylsilylacetylene, Ethynyltrimethylsilane, (Trimethylsilyl)acetylene, Silane, ethynyltrimethyl-, ethynyl(trimethyl)silane, 218170_ALDRICH, EINECS 213-919-9, T138, TL8000240, InChI=1/C5H10Si/c1-5-6(2,3)4/h1H,2-4H

Molecular Formula:	C₅H₁₀Si	Molecular Weight:	98.218400 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: CWMFRHBXRUITQE-UHFFFAOYSA-N

• Z-N-ME-ASP(OTBU)-OH.DCHA

IUPAC Name: N-cyclohexylcyclohexanamine;(2S)-2-[methyl(phenylmethoxycarbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid | CAS Registry Number: 42417-70-9
Synonyms: Z-N-ME-ASP -OHDCHA, SCHEMBL248887, MolPort-020-004-724

Molecular Formula:	C₂₉H₄₆N₂O₆	Molecular Weight:	518.685340 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: VTIXCSIGDUSBDL-ZOWNYOTGSA-N

• Z-N-METHYL-L-THREONINE

IUPAC Name: (2S,3R)-3-hydroxy-2-[methyl(phenylmethoxycarbonyl)amino]butanoic acid | CAS Registry Number: 253595-72-1
Synonyms: Z-N-ME-THR-OHCHA, Z-N-ME-THR-OH CHA, SCHEMBL6378351, MolPort-020-004-193, VTXCJGLSFIOQNL-KOLCDFICSA-N, AKOS015910117, N-Benzyloxycarbonyl-N-methyl-L-threonine, K-6666, I14-31095

Molecular Formula:	C₁₃H₁₇NO₅	Molecular Weight:	267.277780 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: VTXCJGLSFIOQNL-KOLCDFICSA-N

• (?-3-(FMOC-AMINO)-2-PHENYLPROPANOIC ACID

IUPAC Name: 3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylpropanoic acid | CAS Registry Number: 683217-60-9
Synonyms: Fmoc-beta2-DL-Homophe-OH, AC1MBSYI, SureCN120408, Fmoc-|A2-DL-Homophe-OH, 43026_ALDRICH, ()-Fmoc-2-phenyl-beta-alanine, 43026_FLUKA, (+/-)-Fmoc-2-phenyl-beta-alanine, AKOS012614455, ()-3-(Fmoc-amino)-2-phenylpropionic acid, (+/-)-3-(Fmoc-amino)-2-phenylpropionic acid, ( inverted exclamation markA)-Fmoc-2-phenyl-|A-alanine, 3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylpropanoic acid, ( inverted exclamation markA)-3-(Fmoc-amino)-2-phenylpropionic acid

Molecular Formula:	C₂₄H₂₁NO₄	Molecular Weight:	387.427840 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: ZPTZPWOHBIHMIJ-UHFFFAOYSA-N

• (2,4,6-trimethoxyphenyl)methanethiol

IUPAC Name: (2,4,6-trimethoxyphenyl)methanethiol | CAS Registry Number: 212555-23-2
Synonyms: 2,4,6-trimethyloxybenzylthiol, SCHEMBL2332266, 2,4,6-trimethoxybenzyl mercaptan, MolPort-009-679-980, WBBBQLNBASXWLG-UHFFFAOYSA-N, 2,4,6-Trimethoxybenzenemethanethiol, ZINC39075859, AKOS005063577, (2,4,6-Trimethox yphenyl) methanethiol, AK162453, FT-0686753, FT-0686784, ST24033717, A116190

Molecular Formula:	C₁₀H₁₄O₃S	Molecular Weight:	214.281360 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: WBBBQLNBASXWLG-UHFFFAOYSA-N

• (2R)-2-[[(1R)-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHYL]OXY]-4-BENZYL-3-MORPHOLINONE

IUPAC Name: (2R)-4-benzyl-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]morpholin-3-one | CAS Registry Number: 287930-75-0
Synonyms: (R)-4-benzyl-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)morpholin-3-one, (2R)-4-benzyl-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]morpholin-3-one, (2R)-4-BENZYL-2-{(1R)-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHOXY}MORPHOLIN-3-ONE, CTK4G2104, QC-589, AKOS015999459, AG-E-92957, AM84892, LS30278, AK-93359, Y0383, 3-Morpholinone,2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(phenylmethyl)-, (2R)-

Molecular Formula:	C₂₁H₁₉F₆NO₃	Molecular Weight:	447.370879 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	9

InChIKey: KVPJNHLVRGUYGQ-BFUOFWGJSA-N

• (2R,5S)-FMOC-5-PHENYL-PYRROLIDINE-2-CARBOXYLIC ACID

IUPAC Name: (2R,5S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-5-phenylpyrrolidine-2-carboxylic acid | CAS Registry Number: 269078-69-5
Synonyms: CTK4F8716, MolPort-003-725-446, AKOS015837389, AG-E-85255, (2R,5S)-1-[(9H-fluoren-9-ylmethoxy)carbonyl]-5-phenylpyrrolidine-2-carboxylic acid

Molecular Formula:	C₂₆H₂₃NO₄	Molecular Weight:	413.465120 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: JEEBFSSXASHKSF-BJKOFHAPSA-N

• (2S,4S)-4-Fluoropyrrolidine-2-carboxylic acid

IUPAC Name: (2S,4S)-4-fluoropyrrolidine-2-carboxylic acid | CAS Registry Number: 6745-32-0
Synonyms: (2S,4S)-4-fluoropyrrolidine-2-carboxylic acid, cis-4-Fluoroproline, cis-4-Fluoro-L-proline, 2438-57-5, AG-G-55024, (2S,4S)-4-fluoro-2-pyrrolidinecarboxylic acid, (2S,4S)-4-fluoranylpyrrolidine-2-carboxylic acid, 4-Fluoro-pyrrolidine-2-carboxylic acid, PubChem18395, SureCN661917, AC1Q71AC, S-4-FLUORO-L-PROLINE, H-CIS-PRO(4-F)-OH, L-Proline, 4-fluoro-, cis-, CIS-4-FLUORO-L-PRO-OH, H-CIS-4-FLUORO-PRO-OH, CTK5C6182, (4S)-4-FLUOR-L-PROLIN, MolPort-000-140-559, (2S,4S)-4-FLUOROPROLINE

Molecular Formula:	C₅H₈FNO₂	Molecular Weight:	133.120923 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: ZIWHMENIDGOELV-IMJSIDKUSA-N

• (2S,5R)-1-(((9H-FLUOREN-9-YL)METHOXY)CARBONYL)-5-PHENYLPYRROLIDINE-2-CARBOXYLIC ACID

IUPAC Name: (2S,5R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-5-phenylpyrrolidine-2-carboxylic acid | CAS Registry Number: 215190-21-9
Synonyms: (2S,5R)-1-(((9H-Fluoren-9-yl)methoxy)carbonyl)-5-phenylpyrrolidine-2-carboxylic acid, AC1MBSW0, SureCN799703, CTK4E7030, MolPort-003-725-448, ANW-24479, AKOS015837355, AKOS015999247, AG-E-57704, AK-91505, BD229920, KB-206851, Fmoc-(2S,5R)-5-phenyl-pyrrolidine-2-carboxylic acid, (2S,5R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-5-phenylpyrrolidine-2-carboxylic acid, (2S,5R)-1-[(9H-fluoren-9-ylmethoxy)carbonyl]-5-phenylpyrrolidine-2-carboxylic acid, 1,2-Pyrrolidinedicarboxylicacid, 5-phenyl-, 1-(9H-fluoren-9-ylmethyl) ester, (2S,5R)-, 269078-71-9, RARECHEM EM WB 0187;(2S,5R)-FMOC-5-PHENYL-PYRROLIDINE-2-CARBOXYLIC ACID;FMOC-(2S,5R)-5-PHENYLPYRROLIDINE-2-CARBOXYLIC ACID

Molecular Formula:	C₂₆H₂₃NO₄	Molecular Weight:	413.465120 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: JEEBFSSXASHKSF-RPWUZVMVSA-N

• (3-Methylisoxazol-5-yl)methylamine

IUPAC Name: (3-methyl-1,2-oxazol-5-yl)methanamine | CAS Registry Number: 154016-55-4
Synonyms: MolPort-000-142-788, ALBB-009856, ZERO/010435, STK256663, [(3-methylisoxazol-5-yl)methyl]amine, 1-(3-methyl-1,2-oxazol-5-yl)methanamine

Molecular Formula:	C₅H₈N₂O	Molecular Weight:	112.129820 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: JKVMPILAJBLISV-UHFFFAOYSA-N

• (6R,7R)-7-((Z)-2-(2-aminothiazol-4-yl)-2-(hydroxyimino)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | CAS Registry Number: 71091-93-5
Synonyms: UNII-G9Y9M0S93M

Molecular Formula:	C₁₃H₁₃N₅O₅S₂	Molecular Weight:	383.402820 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	10

InChIKey: FMPXXFJEIVCXCL-ODXWQDPNSA-N

• (6R,7R)-7-((Z)-2-(2-aminothiazol-4-yl)-2-(hydroxyimino)acetamido)-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 5-oxide

IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-ethenyl-5,8-dioxo-5lambda4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | CAS Registry Number: 934986-48-8
Synonyms: Cefdinir Sulfoxide, SCHEMBL5325547

Molecular Formula:	C₁₄H₁₃N₅O₆S₂	Molecular Weight:	411.407 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	11

InChIKey: DCYIMCVRWITTJO-VDXAKPFFSA-N

• (6R,7R)-7-(2-(2-aminothiazol-4-yl)-2-oxoacetamido)-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

IUPAC Name: (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | CAS Registry Number: 79350-14-4
Synonyms: SCHEMBL1821101, (-)-(6r,7r)-7-[2-(2-amino-4-thiazolyl)glyoxylamido]-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-7-(2-(2-Aminothiazol-4-yl)-2-oxoacetamido)-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid

Molecular Formula:	C₁₄H₁₂N₄O₅S₂	Molecular Weight:	380.393 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	9

InChIKey: USEZCSSBFVPIRD-JMCQJSRRSA-N

• (6R,7R)-7-(4-hydroxyisoxazole-3-carboxamido)-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS: 1330164-22-1)

• (6R,7S)-7-((Z)-2-(2-aminothiazol-4-yl)-2-(hydroxyimino)acetamido)-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

IUPAC Name: (6R,7S)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | CAS Registry Number: 178601-89-3
Synonyms: 7(S)-Cefdinir, ZINC33940339

Molecular Formula:	C₁₄H₁₃N₅O₅S₂	Molecular Weight:	395.408 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	10

InChIKey: RTXOFQZKPXMALH-JQISMDCNSA-N

• (PIPERIDIN-4-YLOXY)-ACETIC ACID

IUPAC Name: 2-piperidin-4-yloxyacetic acid | CAS Registry Number: 146117-93-3
Synonyms: (Piperidin-4-yloxy)acetic acid, Acetic acid,2-(4-piperidinyloxy)-, ACMC-20n4qh, AGN-PC-01VTH4, SureCN3557829, CTK4C4812, MolPort-009-197-993, Acetic acid, (4-piperidinyloxy)-, AKOS013183850, AG-D-90296, MCULE-8120083070, RP22261, AK-25428, KB-146074, FT-0645824, F2158-1293, Aceticacid, (4-piperidinyloxy)- (9CI); 4-Piperidinyloxyacetic acid

Molecular Formula:	C₇H₁₃NO₃	Molecular Weight:	159.183020 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: KSGBFAJYSBCOGG-UHFFFAOYSA-N

• (R)-2-Amino-1,1,1-Trifluoropropane Hydrochloride

IUPAC Name: (2R)-1,1,1-trifluoropropan-2-amine;hydrochloride | CAS Registry Number: 177469-12-4
Synonyms: (R)-2-Amino-1,1,1-trifluoropropane hydrochloride, (R)-1,1,1-Trifluoroisopropylamine hydrochloride, PubChem21930, CTK5J1691, MolPort-001-773-435, FD2033, PC3589, AKOS005063313, AG-C-28337, RP21298, KB-02694, (R)-2-AMINO-1,1,1-TRIFLUOROPROPANE HCL, (R)-2-Amino-1,1,1-trifluoropropanehydrochloride, I05-0287, (R)-1,1,1-TRIFLUOROPROPAN-2-AMINE HYDROCHLORIDE

Molecular Formula:	C₃H₇ClF₃N	Molecular Weight:	149.542590 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: VLVCERQEOKPRTG-HSHFZTNMSA-N

• (R)-2-AMINO-3-BENZYLOXY-1-PROPANOL HCL SALT

IUPAC Name: (2R)-2-amino-3-phenylmethoxypropan-1-ol;hydrochloride | CAS Registry Number: 58577-95-0
Synonyms: (R)-2-amino-3-(benzyloxy)propan-1-ol hydrochloride, L-Ser(Bzl)-ol*HCl, SureCN2444541, CTK8G0663, BH820, FC1254, AK119608, KB-209843

Molecular Formula:	C₁₀H₁₆ClNO₂	Molecular Weight:	217.692540 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: BJWHQBTUHVIRJJ-HNCPQSOCSA-N

• (R)-3,6-Diethoxy-2-isopropyl-2,5-dihydropyrazine

IUPAC Name: (2R)-3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine | CAS Registry Number: 110117-71-0
Synonyms: (R)-2,5-Dihydro-3,6-diethoxy-2-isopropylpyrazine, (R)-3,6-diethoxy-2,5-dihydro-2-isopropylpyrazine, PubChem9908, AC1NRZJJ, SureCN2808933, Pyrazine,3,6-diethoxy-2,5-dihydro-2-(1-methylethyl)-, (2R)-, CTK4A6785, MolPort-003-984-022, ANW-52774, ZINC26893900, AKOS015838716, AKOS015900621, AG-D-27345, AK-32838, KB-209781, AM20090801, FT-0655426, ST51053850, (2R)-3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine, Pyrazine, 3,6-diethoxy-2,5-dihydro-2-(1-methylethyl)-, (2R)-

Molecular Formula:	C₁₁H₂₀N₂O₂	Molecular Weight:	212.288700 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: HRAZLOIRFUQOPL-SNVBAGLBSA-N

• (R,Z)-2-((R)-((Z)-2-(2-aminothiazol-4-yl)-2-(hydroxyimino)acetamido)(carboxy)methyl)-5-ethylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

IUPAC Name: (2R,5Z)-2-[(R)-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-carboxymethyl]-5-ethylidene-2H-1,3-thiazine-4-carboxylic acid | CAS Registry Number: 178422-39-4
Synonyms: Cefdinir Thiazine Analog

Molecular Formula:	C₁₄H₁₅N₅O₆S₂	Molecular Weight:	413.423 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	12

InChIKey: RUZZQEIIEDMRPD-NFOWBNJOSA-N

• (S)-1,1,1-Trifluoroisopropylamine Hydrochloride

IUPAC Name: (2S)-1,1,1-trifluoropropan-2-amine;hydrochloride | CAS Registry Number: 125353-44-8
Synonyms: (S)-1,1,1-trifluoropropan-2-amine hydrochloride, (S)-2-Amino-1,1,1-trifluoropropane hydrochloride, SBB070023, PubChem21929, PubChem24084, (2S)-1,1,1-trifluoropropan-2-amine Hydrochloride, CTK5J1357, MolPort-001-771-609, AKOS005063308, AKOS015894507, AG-C-28395, RP21300, AM803120, FT-0655956, (S)-2-Amino-1,1,1-trifluoropropanehydrochloride, I05-0286

Molecular Formula:	C₃H₇ClF₃N	Molecular Weight:	149.542590 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: VLVCERQEOKPRTG-DKWTVANSSA-N

• (S)-2-METHYL-2-PYRROLIDINECARBOXYLIC ACID

IUPAC Name: (2S)-2-methylpyrrolidine-2-carboxylic acid;hydrobromide | CAS Registry Number: 63399-73-5
Synonyms: SureCN6632314, CTK1I7074, L-Proline, 2-methyl-, hydrobromide

Molecular Formula:	C₆H₁₂BrNO₂	Molecular Weight:	210.068980 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: IPZNJEAFURICJF-RGMNGODLSA-N

• (S)-2-Tryptoline-3-carboxylic acid methyl ester;(S)-2-1,2,3,4-Tetrahydronorharmane-3-carboxylic acid methylester

IUPAC Name: methyl (3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride | CAS Registry Number: 79815-18-2
Synonyms: SureCN9789674, (S)-METHYL 2,3,4,9-TETRAHYDRO-1H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLATE

Molecular Formula:	C₁₃H₁₅ClN₂O₂	Molecular Weight:	266.723400 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: JQYBNWMURCUTIC-MERQFXBCSA-N

• (S)-3,6-Diethoxy-2-isopropyl-2,5-dihydropyrazine

IUPAC Name: (2S)-3,6-diethoxy-2-propan-2-yl-2,5-dihydropyrazine | CAS Registry Number: 134870-62-5
Synonyms: (S)-2,5-Dihydro-3,6-diethoxy-2-isopropylpyrazine, AG-D-71306, PubChem9909, SureCN1770651, CTK0H4397, MolPort-003-984-023, ACT03671, ANW-52773, ZINC38283997, AKOS015838715, AC-5184, AK-33156, KB-03748, AM20090800, FT-0655007, I14-7139, (3S)-2,5-diethoxy-3-isopropyl-3,6-dihydropyrazine, (2S)-3,6-Diethoxy-2,5-dihydro-2-(prop-2-yl)pyrazine, Pyrazine, 3,6-diethoxy-2,5-dihydro-2-(1-methylethyl)-, (2S)-, Pyrazine,3,6-diethoxy-2,5-dihydro-2-(1-methylethyl)-, (S)-;Schoellkopf chiral auxiliary;(2S)-3,6-Diethoxy-2-isopropyl-2,5-dihydropyrazine;Pyrazine,3,6-diethoxy-2,5-dihydro-2-(1-methylethyl)-, (2S)-;

Molecular Formula:	C₁₁H₂₀N₂O₂	Molecular Weight:	212.288700 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: HRAZLOIRFUQOPL-JTQLQIEISA-N

• (triethylsilyl)acetylene

IUPAC Name: triethyl(ethynyl)silane | CAS Registry Number: 1777-03-3
Synonyms: (Triethylsilyl)acetylene, Ethynyltriethylsilane, triethyl(ethynyl)silane, AG-E-27943, Triethylsilyl acetylene, Triethylethynylsilane, PubChem14597, silane, triethylethynyl-, AC1LCVB5, ACMC-209ed8, KSC491I7N, 346977_ALDRICH, CTK3J1476, ACN-S004548, ACT03386, ANW-22890, RW1912, AKOS015909225, AK-47950, KB-05736

Molecular Formula:	C₈H₁₆Si	Molecular Weight:	140.298140 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: FWSPXZXVNVQHIF-UHFFFAOYSA-N

• (Z)-2-(2-(2-aminothiazol-4-yl)-2-(hydroxyimino)acetamido)acetic acid

IUPAC Name: 2-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]acetic acid | CAS Registry Number: 178949-03-6
Synonyms: Thiazolylacetyl glycine oxime, UNII-JBA25796RO

Molecular Formula:	C₇H₈N₄O₄S	Molecular Weight:	244.227820 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	8

InChIKey: JFHNSSMBYZTXNM-WZUFQYTHSA-N

• (Z)-2-(2-aminothiazol-4-yl)-2-(hydroxyimino)-N-((5-methyl-7-oxo-2,4,5,7-tetrahydro-1H-furo[3,4-d][1,3]thiazin-2-yl)methyl)acetamide (CAS: 178422-44-1)

• (Z)-2-(2-Aminothiazol-4-yl)-N-(2,2-dihydroxyethyl)-2-(hydroxyimino)acetamide

IUPAC Name: (2Z)-2-(2-amino-1,3-thiazol-4-yl)-N-(2,2-dihydroxyethyl)-2-hydroxyiminoacetamide | CAS Registry Number: 178422-40-7
Synonyms: UNII-V0490HP2FV, Thiazolylacetyl glycine oxime hydrate, FT-0662081, (Z)-2-Amino-N-(2,2-dihydroxyethyl)-|A-(hydroxyimino)-4-thiazoleacetamide

Molecular Formula:	C₇H₁₀N₄O₄S	Molecular Weight:	246.243700 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	8

InChIKey: VRXTXNVEOQTWAG-WZUFQYTHSA-N

• (Z)-Cefdinir

IUPAC Name: (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | CAS Registry Number: 178601-88-2
Synonyms: E-Cefdinir, (E)-Cefdinir, UNII-61G2M33IGF, AC1O4R30, MolPort-003-845-683, AKOS015964069, AC-1246, K673, (6R,7R)-7-[[(2E)-(2-Amino-4-thiazolyl)(hydroxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid, (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Molecular Formula:	C₁₄H₁₃N₅O₅S₂	Molecular Weight:	395.413520 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	10

InChIKey: RTXOFQZKPXMALH-RWFJUVPESA-N

• 1,2,4-TRIAZINE-5-CARBOXYLIC ACID, 6-AMINO-

IUPAC Name: 6-amino-1,2,4-triazine-5-carboxylic acid | CAS Registry Number: 412278-71-8
Synonyms: 6-Amino-1,2,4-triazine-5-carboxylic acid, 6-AMINO-[1,2,4]TRIAZINE-5-CARBOXYLIC ACID, CTK1D5297, MolPort-004-778-462, ANW-72746, WTI-10985, AKOS006285822, AG-F-46602, AK-28261, KB-44559, FT-0692847, 1,2,4-Triazine-5-carboxylicacid, 6-amino-, 1,2,4-Triazine-5-carboxylicacid,6-amino-(9CI), 1,2,4-Triazine-5-carboxylicacid,6-amino-(9CI);1,2,4-Triazine-5-carboxylic acid, 6-amino-

Molecular Formula:	C₄H₄N₄O₂	Molecular Weight:	140.100160 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: ANYNZUPMAFITPJ-UHFFFAOYSA-N

• 1,2-O-DIOCTADECYL-SN-GLYCEROL

IUPAC Name: (2S)-2,3-dioctadecoxypropan-1-ol | CAS Registry Number: 82188-61-2
Synonyms: 1,2-O-Dioctadecyl-sn-glycerol, SCHEMBL1815606, A-8862

Molecular Formula:	C₃₉H₈₀O₃	Molecular Weight:	597.050700 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: QEHCYTDFERPPPU-KDXMTYKHSA-N

• 1,2-Pyrrolidinedicarboxylic Acid, 5-Phenyl-, 1-(1,1-Dimethylethyl) Ester, (2s,5r)-

IUPAC Name: (2S,5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpyrrolidine-2-carboxylic acid | CAS Registry Number: 221352-49-4
Synonyms: (2S,5R)-1-(tert-butoxycarbonyl)-5-phenylpyrrolidine-2-carboxylic acid, AG-E-61963, Boc-(2S,5R)-5-phenyl-pyrrolidine-2-carboxylicacid, AC1MBSIA, Boc-(2S,5R)-5-phenyl-pyrrolidine-2-carboxylic acid, SureCN859599, CTK4E8735, MolPort-003-725-447, ANW-45537, SBB069276, AKOS015836498, AK-90348, KB-206854, A4760, W4572, Boc-(2S,5R)-5-Phenylpyrrolidine-2-carboxylic acid, S11-0051, (2S,5R)-BOC-5-PHENYL-PYRROLIDINE-2-CARBOXYLIC ACID, (2S,5R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpyrrolidine-2-carboxylic acid, 1,2-Pyrrolidinedicarboxylicacid, 5-phenyl-, 1-(1,1-dimethylethyl) ester, (2S,5R)-

Molecular Formula:	C₁₆H₂₁NO₄	Molecular Weight:	291.342240 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: ADTXMICUZGOWDF-OLZOCXBDSA-N

• 1,3-Dihydro-isoindole-1,2-dicarboxylic acid 2-tert-butyl ester

IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindole-1-carboxylic acid | CAS Registry Number: 221352-46-1
Synonyms: 2-(tert-butoxycarbonyl)isoindoline-1-carboxylic acid, Boc-(R,S)-1,3-dihydro-2H-isoindole carboxylic acid, 1,3-Dihydro-isoindole-1,2-dicarboxylicacid2-tert-butylester, AC1MBSHV, SureCN205299, CTK8B4021, ANW-43707, 2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindole-1-carboxylic Acid, AKOS016001694, AK-34179, KB-10386, A4759, FT-0080967, FT-0649802, D57027, 1,3-Dihydroisoindole-1,2-dicarboxylic acid 2-tert-butyl ester

Molecular Formula:	C₁₄H₁₇NO₄	Molecular Weight:	263.289080 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: BBMCBMREDOQCDU-UHFFFAOYSA-N

• 1,4,7-TRIS-BOC-1,4,7,10-TETRAAZA-CYCLODODECANE

IUPAC Name: tritert-butyl 1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate | CAS Registry Number: 175854-39-4
Synonyms: Tri-tert-Butyl 1,4,7,10-tetraazacyclododecane-1,4,7-tricarboxylate, 1,4,7-Tri-Boc-1,4,7,10-tetraazacyclododecane, ACMC-20aazv, SureCN2220355, CTK4D6018, MolPort-005-932-234, ANW-65177, AKOS015911763, AG-E-26247, AK103030, KB-261228, I14-37121, 1,4,7,10-Tetraazacyclododecane-1,4,7-tricarboxylicacid, 1,4,7-tris(1,1-dimethylethyl) ester, 1,4,7,10-Tetraazacyclododecane-1,4,7-tricarboxylicacid, tris(1,1-dimethylethyl) ester (9CI);1,4,7,10-Tetraazacyclododecane-1,4,7-tricarboxylic acid tri-tert-butyl ester;1,4,7-Tris(tert-butoxycarbonyl)-1,4,7,10-tetraazacyclododecane;4,7,10-Tris(tert-butoxycarbonyl)-1,4,7,10-tetraazacyclododecane; Tri-tert-butyl1,4,7,10-tetraazacyclotetradecane-1,4,7-tricarboxylate, N,N inverted exclamation marka,N inverted exclamation marka inverted exclamation marka-Tri-Boc-cyclen

Molecular Formula:	C₂₃H₄₄N₄O₆	Molecular Weight:	472.618660 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	7

InChIKey: ZXASHTYJQJMCQR-UHFFFAOYSA-N

• 1-(TERT-BUTOXYCARBONYL)-4-(4-CYANOPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID

IUPAC Name: 4-(4-cyanophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid | CAS Registry Number: 885270-65-5
Synonyms: 1-(tert-butoxycarbonyl)-4-(4-cyanophenyl)pyrrolidine-3-carboxylic acid, KB-334443, 4CH-024721

Molecular Formula:	C₁₇H₂₀N₂O₄	Molecular Weight:	316.357 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: FXCGBFMJOLRFEI-UHFFFAOYSA-N