HIT ID: HIT218615604

Cas No: 1179330-52-9

分子式: C44H73N13O13

分子量: 992.146

常用名: (2S,3R)-2-acetamido-3-hydroxy-N-[(1R)-2-hydroxy-1-{[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]carbamoyl}ethyl]butanamide, SPR741

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: (2S,3R)-2-acetamido-3-hydroxy-N-[(1R)-2-hydroxy-1-{[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]carbamoyl}ethyl]butanamide

SMILES: [H][C@]1(NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC(=O)[C@H](CCNC1=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)O

InChI key: JBFNEVNUGGFPBQ-DDMCRLCFSA-N