3-[(3R,9S,12S,15S,18S,21S,24S,27S,33S,36S,39S,42S,45S)-24,39-bis(4-aminobutyl)-9-[(2S)-butan-2-yl]-21,36-bis(carbamoylmethyl)-18-(hydroxymethyl)-33-[(4-hydroxyphenyl)methyl]-12-[(1H-indol-3-yl)methyl]-2,8,11,14,17,20,23,26,29,32,35,38,41,44-tetradecaoxo-27,42-bis(propan-2-yl)-1,7,10,13,16,19,22,25,28,31,34,37,40,43-tetradecaazatricyclo[43.3.0.03,7]octatetracontan-15-yl]propanoic acid

化合物标识与属性

PubChem CID

100917801

SMILES

CC[C@H](C)[C@H]1C(=O)N2CCC[C@@H]2C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC4=CNC5=CC=CC=C54)CCC(=O)O)CO)CC(=O)N)CCCCN)C(C)C)CC6=CC=C(C=C6)O)CC(=O)N)CCCCN)C(C)C

Canonical SMILES

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O