HIT ID: HIT218697879

Cas No: 81377-02-8

分子式: C44H56N8O7

分子量: 808.981

常用名: (3S,9S,12R,15S,18S)-9-(4-aminobutyl)-3-benzyl-15-[(4-hydroxyphenyl)methyl]-12-(1H-indol-3-ylmethyl)-6-isopropyl-1,18-dimethyl-1,4,7,10,13,16-hexaazacyclooctadecane-2,5,8,11,14,17-hexone, Seglitide

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: (3S,9S,12R,15S,18S)-9-(4-aminobutyl)-3-benzyl-15-[(4-hydroxyphenyl)methyl]-12-[(1H-indol-3-yl)methyl]-1,18-dimethyl-6-(propan-2-yl)-1,4,7,10,13,16-hexaazacyclooctadecane-2,5,8,11,14,17-hexone

SMILES: CC(C)C1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O

InChI key: NPJIOCBFOAHEDO-WYGDQZLWSA-N