CAS 2772542-34-2 is the registry number for BCY 17901, 95%. Offered by: Chemat. Available pack sizes: 10mg, 25mg, 100mg.
(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(8R,14S,18R,20S,23S,26S,29S,32S,38R,41S,44S,47S,50R)-8-acetamido-41-tert-butyl-23-(carboxymethyl)-18-hydroxy-44-(hydroxymethyl)-29,47-bis[(4-hydroxyphenyl)methyl]-26-methyl-32-(2-methylpropyl)-4,9,15,21,24,27,30,33,36,39,42,45,48,54,57-pentadecaoxo-6,52,59-trithia-1,3,10,16,22,25,28,31,34,37,40,43,46,49,55-pentadecazapentacyclo[36.18.4.13,55.010,14.016,20]henhexacontane-50-carbonyl]amino]-4-carboxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-azidohexanoic acid (CAS 2772542-34-2) is a chemical compound with the molecular formula C99H134N24O30S3 and a molecular weight of 2236.5 g/mol. IUPAC name: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(8R,14S,18R,20S,23S,26S,29S,32S,38R,41S,44S,47S,50R)-8-acetamido-41-tert-butyl-23-(carboxymethyl)-18-hydroxy-44-(hydroxymethyl)-29,47-bis[(4-hydroxyphenyl)methyl]-26-methyl-32-(2-methylpropyl)-4,9,15,21,24,27,30,33,36,39,42,45,48,54,57-pentadecaoxo-6,52,59-trithia-1,3,10,16,22,25,28,31,34,37,40,43,46,49,55-pentadecazapentacyclo[36.18.4.13,55.010,14.016,20]henhexacontane-50-carbonyl]amino]-4-carboxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-azidohexanoic acid. InChIKey: WTLQSISYTBSZIA-MGICVYPOSA-N.
| Molecular formula | C99H134N24O30S3 |
|---|---|
| Molecular weight | 2236.5 g/mol |
| IUPAC name | (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(8R,14S,18R,20S,23S,26S,29S,32S,38R,41S,44S,47S,50R)-8-acetamido-41-tert-butyl-23-(carboxymethyl)-18-hydroxy-44-(hydroxymethyl)-29,47-bis[(4-hydroxyphenyl)methyl]-26-methyl-32-(2-methylpropyl)-4,9,15,21,24,27,30,33,36,39,42,45,48,54,57-pentadecaoxo-6,52,59-trithia-1,3,10,16,22,25,28,31,34,37,40,43,46,49,55-pentadecazapentacyclo[36.18.4.13,55.010,14.016,20]henhexacontane-50-carbonyl]amino]-4-carboxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-azidohexanoic acid |
| InChIKey | WTLQSISYTBSZIA-MGICVYPOSA-N |
| SMILES | C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H]2CSCC(=O)N3CN(CN(C3)C(=O)CSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)C(C)(C)C)CO)CC4=CC=C(C=C4)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CC6=CNC7=CC=CC=C76)C(=O)N[C@@H](CCCCN=[N+]=[N-])C(=O)O)C(=O)CSC[C@@H](C(=O)N8CCC[C@H]8C(=O)N9C[C@@H](C[C@H]9C(=O)N[C@H](C(=O)N1)CC(=O)O)O)NC(=O)C)CC(C)C)CC1=CC=C(C=C1)O |
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