HIT ID: HIT218698463

Cas No: 9047-55-6

分子式: C62H84N14O17S2

分子量: 1361.56

常用名: (3S)-3-{[(4R,7S,10S,13S,16S,19R)-10-(4-aminobutyl)-16-benzyl-4-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}-7-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl]carbamoyl}-3-[(2S)-2-[(2S,3R)-2-{2-[(2S)-2-aminopropanamido]acetamido}-3-hydroxybutanamido]propanamido]propanoic acid, Urotensin II, mouse

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: (3S)-3-{[(4R,7S,10S,13S,16S,19R)-10-(4-aminobutyl)-16-benzyl-4-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}-7-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl]carbamoyl}-3-[(2S)-2-[(2S,3R)-2-{2-[(2S)-2-aminopropanamido]acetamido}-3-hydroxybutanamido]propanamido]propanoic acid

SMILES: CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O

InChI key: YNQKMDDGZLLKHF-SYGGZGJOSA-N