(4R)-4-{[(2S,3S)-1-[(2S,5R,8S,11R,14S,17R,20S)-2-(4-aminobutyl)-5-(3-aminopropyl)-11-benzyl-20-(carbamoylmethyl)-17-(carboxymethyl)-14-[(1H-imidazol-4-yl)methyl]-3,6,9,12,15,18,21-heptaoxo-8-(propan-2-yl)-1,4,7,10,13,16,19-heptaazacyclohenicosan-1-yl]-3-methyl-1-oxopentan-2-yl]carbamoyl}-4-[(2S)-4-methyl-2-{[2-(2-methylpropanoyl)-1,3-thiazol-4-yl]formamido}pentanamido]butanoic acid

化合物标识与属性

PubChem CID

177533739

SMILES

CC[C@H](C)[C@@H](C(=O)N1[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)N[C@H](C1=O)CC(=O)N)CC(=O)O)CC2=CN=CN2)CC3=CC=CC=C3)C(C)C)CCCN)CCCCN)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)C4=CSC(=N4)C(=O)C(C)C

Canonical SMILES

CC[C@H](C)[C@H](NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)c1csc(C(=O)C(C)C)n1)C(=O)N1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CCCN)NC(=O)[C@@H]1CCCCN