3-[(3S,6S,9S,12S,15S,20S,29S,34aS)-6-[(2S)-butan-2-yl]-29-(carboxymethyl)-15-({3-[(3-ethoxy-3-oxopropyl)sulfanyl]-3-oxopropoxy}carbonyl)-12-[(1R)-1-hydroxyethyl]-20-(hydroxymethyl)-1,4,7,10,13,18,21,24,27,30-decaoxo-9-(propan-2-yl)-tetratriacontahydropyrrolo[1,2-m]1,4,7,10,13,16,19,22,25,28-decaazacyclodotriacontan-3-yl]propanoic acid

化合物标识与属性

PubChem CID

177627692

SMILES

CC[C@H](C)C1C(=O)N[C@H](C(=O)NC(C(=O)NC(CCC(=O)N[C@H](C(=O)NCC(=O)NCC(=O)NC(C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N1)CCC(=O)O)CC(=O)O)CO)C(=O)OCCC(=O)SCCC(=O)OCC)[C@@H](C)O)C(C)C

Canonical SMILES

CCOC(=O)CCSC(=O)CCOC(=O)C1CCC(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)NC(CC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)NC([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)NC([C@@H](C)O)C(=O)N1