2-[(3S,6S,9S,12S,18R,21S,24S,27S,30S,36S,42S,45S,50aS)-36-(3-carbamimidamidopropyl)-30-[(1R)-1-hydroxyethyl]-9,12,45-tris(hydroxymethyl)-21-[(4-hydroxyphenyl)methyl]-3,6,24-trimethyl-1,4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-hexadecaoxo-27-(propan-2-yl)-18-(sulfanylmethyl)-pentacontahydropyrrolo[1,2-a]1,4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-hexadecaazacyclooctatetracontan-42-yl]acetic acid

化合物标识与属性

PubChem CID

101710611

SMILES

C[C@H]1C(=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)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N1)C)CO)CC(=O)O)CCCN=C(N)N)[C@@H](C)O)C(C)C)C)CC3=CC=C(C=C3)O)CS)CO)CO

Canonical SMILES

CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC1=O