PRODUCT NAME | CAS Registry Number |
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(6 suppliers)
IUPAC Name: (2S)-2-[[(2S)-2-[[(3R,6S,9S,15S,18S,21R)-21-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]amino]-6-(3-amino-3-oxopropyl)-9-(2-carboxyethyl)-18-(carboxymethyl)-15-methyl-5,8,11,14,17,20-hexaoxo-1-thia-4,7,10,13,16,19-hexazacyclodocosane-3-carbonyl]amino]propanoyl]amino]-3-methylbutanoic acid | CAS Registry Number: 175413-73-7
Molecular Formula: | C64H97N17O23S2 | Molecular Weight: | 1536.696 [g/mol] | H-Bond Donor: | 20 | H-Bond Acceptor: | 26 |
InChIKey: QIDHYKZELZURRU-XJHNVALUSA-N
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(4 suppliers)
IUPAC Name: (2~{S})-2-[[(2~{R})-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-~{N}-[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-amino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1~{H}-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1~{H}-indol-3-yl)-1-oxopropan-2-yl]pentanediamide | CAS Registry Number: 183241-31-8
Synonyms: AKOS025293512
Molecular Formula: | C57H76N14O11 | Molecular Weight: | 1133.322 [g/mol] | H-Bond Donor: | 14 | H-Bond Acceptor: | 13 |
InChIKey: BXSSCSKCOFKPOK-ZWAOGYCRSA-N
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(3 suppliers)
IUPAC Name: N-[2-(diethylamino)ethyl]-4-[(4-fluorobenzoyl)amino]-5-iodanyl-2-methoxybenzamide | CAS Registry Number: 1214283-52-9
Synonyms: IOFLUBENZAMIDE I 131, UNII-65O1D58Z6V, Solazed, 864462-68-0, Ioflubenzamide I-131, Ioflubenzamide, I-131, SureCN12391545, CHEMBL2107346, MIP-1145, BA-100, Ioflubenzamide I 131 (USAN/INN), Ioflubenzamide I 131 [USAN:INN], D09914, Benzamide, N-(2-(diethylamino)ethyl)-4-((4-fluorobenzoyl)amino)-5-(iodo-131i)-2-methoxy-, N-(2-(Diethylamino)ethyl)-4-((4-fluorobenzoyl)amino)-5-(iodo-131I)-2-methoxybenzamide, N-(2-(Diethylamino)ethyl)-4-((4-fluorobenzoyl)amino)-5-((sup 131)I)iodo-2-methoxybenzamide
Molecular Formula: | C21H25FIN3O3 | Molecular Weight: | 517.346028 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 5 |
InChIKey: UPRRZQGAQRAODM-AWUWEVMDSA-N
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(3 suppliers)
IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]acetyl]amino]hexanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid | CAS Registry Number: 18067-65-7
Molecular Formula: | C136H210N40O31S | Molecular Weight: | 2933.485 [g/mol] | H-Bond Donor: | 42 | H-Bond Acceptor: | 41 |
InChIKey: ZOEFCCMDUURGSE-GUTVWFRMSA-N
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(3 suppliers)
IUPAC Name: 4-(oxiran-2-ylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane | CAS Registry Number: 10578-42-4
Synonyms: 7-Oxabicyclo(4.1.0)heptane, 3-((oxiranylmethoxy)methyl)-, 7-Oxabicyclo[4.1.0]heptane, 3-[(oxiranylmethoxy)methyl]-, AGN-PC-00LH52
Molecular Formula: | C10H16O3 | Molecular Weight: | 184.232240 [g/mol] | H-Bond Donor: | 0 | H-Bond Acceptor: | 3 |
InChIKey: BOICCJPODWMTEY-UHFFFAOYSA-N
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(5 suppliers)
IUPAC Name: 9-bromo-10-(3-phenylphenyl)anthracene | CAS Registry Number: 844679-02-3
Synonyms: SCHEMBL5955974, 9-bromo-10-(3-phenylphenyl)anthracene
Molecular Formula: | C26H17Br | Molecular Weight: | 409.326 [g/mol] | H-Bond Donor: | 0 | H-Bond Acceptor: | 0 |
InChIKey: WCMCZLIOCXISPX-UHFFFAOYSA-N
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(10 suppliers)
IUPAC Name: 1-ethoxycarbonyloxyethyl (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate | CAS Registry Number: 50972-17-3
Synonyms: bacampicillin, bacampicillinum, Penglobe, Penglobe (TN), Bacampicillin (INN), Prestwick0_000416, Prestwick1_000416, Prestwick2_000416, Prestwick3_000416, BSPBio_000372, SPBio_002311, BPBio1_000410, CHEBI:2968, DB01602, NCGC00179582-01, C08122, D07487, 1'-Ethoxycarbonyloxyethyl-(6-D-alpha-aminophenylacetamido)penicillanate, 1-[(ethoxycarbonyl)oxy]ethyl (2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, 1-[(ethoxycarbonyl)oxy]ethyl 6beta-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3alpha-carboxylate
Molecular Formula: | C21H27N3O7S | Molecular Weight: | 465.519980 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 8 |
InChIKey: PFOLLRNADZZWEX-FFGRCDKISA-N
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(8 suppliers)
Molecular Formula: | C32H44O14 | Molecular Weight: | 652.690 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 14 |
InChIKey: CCJGGIKEFAWREN-YLKHWIRDSA-N
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(3 suppliers)
Synonyms: BaccatinIX
Molecular Formula: | C31H40O12 | Molecular Weight: | 604.649 [g/mol] | H-Bond Donor: | 5 | H-Bond Acceptor: | 12 |
InChIKey: YFNJMSUUYCXOBD-UNRSFZBISA-N
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(11 suppliers)
Synonyms: (2aR,4S,4aS,5R,6R,9S,11S,12S,12aR,12bS)-2a,3,4,4a,5,6,9,10,12,12a-Decahydro-4a,8,13,13-tetramethyl-4,5,6,9,12b-pentaacetate 12-Benzoate Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete-4,5,6,9,11,12,12b-heptol
Molecular Formula: | C37H46O14 | Molecular Weight: | 714.752740 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 14 |
InChIKey: UJFKTEIDORFVQS-XYEQATCPSA-N
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(2 suppliers)
Synonyms: BaccatinVIII
Molecular Formula: | C33H42O13 | Molecular Weight: | 646.686 [g/mol] | H-Bond Donor: | 4 | H-Bond Acceptor: | 13 |
InChIKey: SMMKFLQKTRZJCF-CAEDTEOSSA-N
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(1 supplier)
Synonyms: BaccatinX
Molecular Formula: | C31H40O12 | Molecular Weight: | 604.649 [g/mol] | H-Bond Donor: | 5 | H-Bond Acceptor: | 12 |
InChIKey: QVUHFXGOPHUGGG-GWGORWSESA-N
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(34 suppliers)
Synonyms: Baccatin III, Baccatin- III, B8154_SIGMA, CHEBI:32898, NSC 330753, ZINC04102268, LS-183707, C11900, 7,11-Methano-5H-cyclodeca(3,4)benz(1,2-b)oxet-5-one, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-, (2aR-(2aalpha,4beta,4abeta,6beta,9alpha,11alpha,12alpha,12aalpha,12balpha))-, [2aR-(2aalpha,4beta,4abeta,6beta,9alpha,11alpha,12alpha,12aalpha,12balpha)]-6,12b-bis(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca(3,4)benz(1,2-b)oxet-5-one, 5beta,20-epoxy-1,7beta,13alpha-trihydroxy-9-oxotax-11-ene-2alpha,4alpha,10beta-triyl 4,10-diacetate 2-benzoate
Molecular Formula: | C31H38O11 | Molecular Weight: | 586.626820 [g/mol] | H-Bond Donor: | 3 | H-Bond Acceptor: | 11 |
InChIKey: OVMSOCFBDVBLFW-VHLOTGQHSA-N
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(1 supplier)
IUPAC Name: (2R,4aR,4bR,6aS,10aS,10bR)-2,4a,4b,7,7,10a-hexamethyl-2-(4-methylpent-3-enyl)-3,4,5,6,6a,8,9,10,10b,11-decahydro-1H-chrysene | CAS Registry Number: 87741-85-3
Molecular Formula: | C30H50 | Molecular Weight: | 410.730 [g/mol] | H-Bond Donor: | 0 | H-Bond Acceptor: | 0 |
InChIKey: CRANCNKSDHVJBF-XXAVWSCOSA-N
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(2 suppliers)
Synonyms: Baccharinol, Baccharinol B4, Baccharin B4, MLS002703043, Maytanbutacine, NSC269756, Baccharinoid B 4, NSC-269756, BACCHARINOL (B800157K385 AND F351), Verrucarin A,3'-epoxy-4'8-dihydroxy-7'-(1-hydroxyethyl)-, Verrucarin A,3'-epoxy-4',8-dihydroxy-7'-[(1R)-1-hydroxyethyl]-, (2'S,3'R,4'S,7'R,8R)-
Molecular Formula: | C29H38O11 | Molecular Weight: | 562.605420 [g/mol] | H-Bond Donor: | 3 | H-Bond Acceptor: | 11 |
InChIKey: ZGOCMMMDEQOCDU-APBVVRNWSA-N
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(1 supplier)
Synonyms: (2S,4aR,4bR,6aS,8R,10aR,10bR,12aS)-1,1,4b,6a,8,10a-hexamethyl-8-(4-methylpent-3-en-1-yl)hexadecahydro-2H-2,4a-epoxychrysene, CHEBI:63463, PL054751, C20189, (1R,2R,5S,7R,10R,11R,14S,16S)-2,5,7,10,15,15-HEXAMETHYL-7-(4-METHYLPENT-3-EN-1-YL)-19-OXAPENTACYCLO[14.2.1.0(1),(1)?.0(2),(1)(1).0?,(1)?]NONADECANE
Molecular Formula: | C30H50O | Molecular Weight: | 426.729 [g/mol] | H-Bond Donor: | 0 | H-Bond Acceptor: | 1 |
InChIKey: FPGOBAVTXMFTQR-LXERUMJASA-N
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(1 supplier)
Synonyms: Bacchotricuneatin c
Molecular Formula: | C20H22O5 | Molecular Weight: | 342.391 [g/mol] | H-Bond Donor: | 0 | H-Bond Acceptor: | 5 |
InChIKey: OVOBBAKMTPKDAK-LWFMFQAFSA-N
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(4 suppliers)
IUPAC Name: N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide | CAS Registry Number: 1310347-50-2
Synonyms: UNII-B67UFT75QS, B67UFT75QS, CHEMBL2347215, GTPL9821, SCHEMBL1975951, DVMUZHLUMHPCGZ-QGZVFWFLSA-N, BCP23733, BDBM50432628, RG7129, rg7129 pound>>ro 5508887, HY-100182, RO5508887, CS-0018177, RO-5508887, 2-Pyridinecarboxamide, N-(3-((4R)-2-amino-5,5-difluoro-5,6-dihydro-4-methyl-4H-1,3-oxazin-4-yl)-4-fluorophenyl)-5-cyano-, 5-Cyano-pyridine-2-carboxylic acid [3-((R)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide, 6Z0, N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide, N-[3-[(4r)-2-Azanylidene-5,5-Bis(Fluoranyl)-4-Methyl-1,3-Oxazinan-4-Yl]-4-Fluoranyl-Phenyl]-5-Cyano-Pyridine-2-Carboxamide
Molecular Formula: | C18H14F3N5O2 | Molecular Weight: | 389.338 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 8 |
InChIKey: DVMUZHLUMHPCGZ-QGZVFWFLSA-N
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(1 supplier)
IUPAC Name: N-[3-[(2R,3R)-5-amino-3-methyl-2-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide | CAS Registry Number: 1352416-78-4
Synonyms: CHEMBL4165225, BDBM50280423, HY-112444, CS-0046066
Molecular Formula: | C19H15F4N5O2 | Molecular Weight: | 421.300 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 9 |
InChIKey: YCNKUIFVRZSRNL-QZTJIDSGSA-N
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IUPAC Name: 1-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]-3-N,5-dimethyl-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | CAS Registry Number: 1676107-08-6
Synonyms: BACE-2 Inhibitor, 1-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]-3-N,5-dimethyl-3-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide, BACE2 Inhibitor 3l, SCHEMBL16578161, GTPL10394, compound 3l [PMID: 30637955], N1-((2S,3R)-3-Hydroxy-1-phenyl-4-(3-(trifluoromethyl)benzylamino)butan-2-yl)-N3,5-dimethyl-N3-((R)-1-phenylethyl)isophthalamide
Molecular Formula: | C36H38F3N3O3 | Molecular Weight: | 617.700 [g/mol] | H-Bond Donor: | 3 | H-Bond Acceptor: | 7 |
InChIKey: KQGVKXJLEHXBDS-CBHGIOBQSA-N
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