| PRODUCT NAME | CAS Registry Number |
(2 suppliers)
IUPAC Name: (2S,9S)-2,9-diamino-5-[(2S,3R)-3-[[(2Z,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-2,4,6-trienoyl]-butanoylamino]-2-methyl-3-(methylamino)-4-oxobutyl]-5-(diaminomethylideneamino)-4,6-dioxodecanedioic acid | CAS Registry Number: 146235-53-2
Synonyms: AC1O68FE, (2S,9S)-2,9-diamino-5-[(2S,3R)-3-[[(2Z,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-2,4,6-trienoyl]-butanoylamino]-2-methyl-3-(methylamino)-4-oxobutyl]-5-(diaminomethylideneamino)-4,6-dioxodecanedioic acid
| Molecular Formula: | C41H62N8O10 | Molecular Weight: | 826.978580 [g/mol] | | H-Bond Donor: | 8 | H-Bond Acceptor: | 15 |
InChIKey: ASTBUYIOZHDWOR-JTAPVJJASA-N
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IUPAC Name: 3-[(3S,6R,9R,12S,19S,22R,25S)-6,12,22-tris(2-amino-2-oxoethyl)-19-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-16-(9-methylundecyl)-2,5,8,11,14,18,21,24-octaoxo-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosan-3-yl]propanamide | CAS Registry Number: 64642-38-2
Synonyms: IOW-3
| Molecular Formula: | C49H76N12O14 | Molecular Weight: | 1057.217 [g/mol] | | H-Bond Donor: | 13 | H-Bond Acceptor: | 14 |
InChIKey: UZIRWCBDDZAYTQ-UROJDDOBSA-N
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(2 suppliers)
IUPAC Name: 3-[(3S,6R,9R,12S,19S,22R,25S)-6,12,22-tris(2-amino-2-oxoethyl)-19-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-16-(11-methyldodecyl)-2,5,8,11,14,18,21,24-octaoxo-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosan-3-yl]propanamide | CAS Registry Number: 83777-02-0
Synonyms: IOW-6
| Molecular Formula: | C50H78N12O14 | Molecular Weight: | 1071.244 [g/mol] | | H-Bond Donor: | 13 | H-Bond Acceptor: | 14 |
InChIKey: KKIVMGDDVLIFLL-UOCWSZNHSA-N
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IUPAC Name: (2R,4R)-N-(2-aminobutanoyl)-N-[(4S,5S)-7-amino-5-formyl-4-hydroxy-1-imino-3,6-dioxo-2-phenylnonan-5-yl]-3,4-dichloropyrrolidine-2-carboxamide | CAS Registry Number: 148057-23-2
Synonyms: Astin C, Asterin (peptide), AC1L4309, (2R,4R)-N-(2-aminobutanoyl)-N-[(4S,5S)-7-amino-5-formyl-4-hydroxy-1-imino-3,6-dioxo-2-phenylnonan-5-yl]-3,4-dichloropyrrolidine-2-carboxamide, Cyclo((R)-3-phenyl-beta-alanyl-L-2-aminobutanoyl-(2alpha,3alpha,4alpha)-3,4-dichloro-L-prolyl-L-2-aminobutanoyl-L-seryl)
| Molecular Formula: | C25H33Cl2N5O6 | Molecular Weight: | 570.465420 [g/mol] | | H-Bond Donor: | 5 | H-Bond Acceptor: | 10 |
InChIKey: MUWSKAXEQCKXQN-KJRKMCEKSA-N
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(2 suppliers)
IUPAC Name: (3S,7R,10S,13S,16R,17S,18R)-17,18-dichloro-3-ethyl-13-[(1S)-1-hydroxyethyl]-10-(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone | CAS Registry Number: 151201-76-2
Synonyms: astin B, ZINC138454398
| Molecular Formula: | C25H33Cl2N5O7 | Molecular Weight: | 586.467 [g/mol] | | H-Bond Donor: | 6 | H-Bond Acceptor: | 7 |
InChIKey: DQILVZOWLYBPKT-FKOMMSEQSA-N
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Synonyms: Roccanin
| Molecular Formula: | C28H32N4O4 | Molecular Weight: | 488.588 [g/mol] | | H-Bond Donor: | 2 | H-Bond Acceptor: | 4 |
InChIKey: YFVMOGLKURMUAN-ZJZGAYNASA-N
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(2 suppliers)
IUPAC Name: (2Z,5R,6S,9S,12S,13S,16R)-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-9-propan-2-yl-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid | CAS Registry Number: 141672-08-4
Synonyms: AC1N9ZKX, CHEMBL430145, (2Z,5R,6S,9S,12S,13S,16R)-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-9-propan-2-yl-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
| Molecular Formula: | C40H57N5O10 | Molecular Weight: | 767.908080 [g/mol] | | H-Bond Donor: | 6 | H-Bond Acceptor: | 10 |
InChIKey: GIRIHYQVGVTBIP-NJYUBDSESA-N
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IUPAC Name: (2S,5S,8S,11S,14R,15R)-8-benzyl-11-butan-2-yl-4,14,15-trimethyl-2,5-di(propan-2-yl)-1,7-dioxa-4,10,13-triazacyclohexadecane-3,6,9,12,16-pentone | CAS Registry Number: 155180-52-2
Synonyms: Dolastatin D
| Molecular Formula: | C31H47N3O7 | Molecular Weight: | 573.731 [g/mol] | | H-Bond Donor: | 2 | H-Bond Acceptor: | 7 |
InChIKey: RZDAFBXMVPFBRK-IHMLTJKFSA-N
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IUPAC Name: 3-[14-benzyl-5-(cyclohexylmethyl)-11-(1H-indol-3-ylmethyl)-2-(2-methylpropyl)-6,9,12,15,19-pentaoxo-1,4,7,10,13,16-hexazacyclononadec-8-yl]propanamide | CAS Registry Number: 151911-04-5
Synonyms: Men 10612, AC1L52LE, Men-10,612, MEN 10,612, Cyclo(leu-psi(CH2NH)-cha-gln-trp-phe-beta-ala), L010022, 3-[14-benzyl-5-(cyclohexylmethyl)-11-(1H-indol-3-ylmethyl)-2-(2-methylpropyl)-6,9,12,15,19-pentaoxo-1,4,7,10,13,16-hexazacyclononadec-8-yl]propanamide, beta-Alanine, N-(2-amino-4-methylpentyl)-3-cyclohexyl-L-alanyl-L-glutaminyl-L-tryptophyl-L-phenylalanyl-, cyclic (5-1)-peptide, (S)-, Cyclo(3-cyclohexyl-L-alanyl-L-glutaminyl-L-tryptophyl-L-phenylalanyl-beta-alanyl-L-leucyl-psi(CH2-NH))
| Molecular Formula: | C43H60N8O6 | Molecular Weight: | 784.986500 [g/mol] | | H-Bond Donor: | 8 | H-Bond Acceptor: | 7 |
InChIKey: YMJSHBCDXDDCQD-UHFFFAOYSA-N
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IUPAC Name: (3S,6R,12S)-6-benzyl-3-(2-methylpropyl)-9-[6-(oxiran-2-yl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone | CAS Registry Number: 146556-41-4
Synonyms: MolPort-038-386-694, PF-1070A
| Molecular Formula: | C31H44N4O6 | Molecular Weight: | 568.715 [g/mol] | | H-Bond Donor: | 3 | H-Bond Acceptor: | 6 |
InChIKey: DYQZJCUKWTVTLH-ZFMBJHPBSA-N
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(1 supplier)
IUPAC Name: (E)-N-[(2R)-2-formyl-5-imino-1-(4-methoxyphenyl)-3-oxopentan-2-yl]-5-hydroxy-N-(2-hydroxy-4-methylpentanoyl)-6-(3-phenyloxiran-2-yl)hept-2-enamide | CAS Registry Number: 162600-54-6
Synonyms: AC1O5WVZ, (E)-N-[(2R)-2-formyl-5-imino-1-(4-methoxyphenyl)-3-oxopentan-2-yl]-5-hydroxy-N-(2-hydroxy-4-methylpentanoyl)-6-(3-phenyloxiran-2-yl)hept-2-enamide
| Molecular Formula: | C34H42N2O8 | Molecular Weight: | 606.705880 [g/mol] | | H-Bond Donor: | 3 | H-Bond Acceptor: | 9 |
InChIKey: RBKLLKNLMSUFGF-LCDNMZJOSA-N
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(2 suppliers)
IUPAC Name: benzyl 2-[8-(3-amino-3-oxopropyl)-14-benzyl-11-(1H-indol-3-ylmethyl)-2-(2-methylpropyl)-6,9,12,15,19-pentaoxo-1,4,7,10,13,16-hexazacyclononadec-5-yl]acetate | CAS Registry Number: 151911-03-4
Synonyms: Men 10573, AC1L52LB, Men 10,573, Men-10,573, L010021, Cyclo(leu-psi(CH2NH)-asp(obzl)-gln-trp-phe-beta-ala), benzyl 2-[8-(3-amino-3-oxopropyl)-14-benzyl-11-(1H-indol-3-ylmethyl)-2-(2-methylpropyl)-6,9,12,15,19-pentaoxo-1,4,7,10,13,16-hexazacyclononadec-5-yl]acetate, beta-Alanine, N-(2-amino-4-methylpentyl)-L-alpha-aspartyl-L-glutaminyl-L-tryptophyl-L-phenylalanyl-, 1-(phenylmethyl) ester, cyclic (5-1)-peptide, (S)-, Cyclo(beta-alanyl-L-leucyl-psi(CH2-NH)-L-alpha-aspartyl-L-glutaminyl-L-tryptophyl-L-phenylalanyl), phenylmethyl ester
| Molecular Formula: | C45H56N8O8 | Molecular Weight: | 836.974940 [g/mol] | | H-Bond Donor: | 8 | H-Bond Acceptor: | 9 |
InChIKey: QOHLOAJGFVUXEK-UHFFFAOYSA-N
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