(4R)-4-{[(2S,3S)-1-[(2S,5R,8S,11R,14S,17R,20S)-2-(4-aminobutyl)-5-(3-aminopropyl)-11-benzyl-8-[(2S)-butan-2-yl]-20-(carbamoylmethyl)-17-(carboxymethyl)-14-[(1H-imidazol-4-yl)methyl]-3,6,9,12,15,18,21-heptaoxo-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

177547264

SMILES

CC[C@H](C)[C@H]1C(=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)CCCN)CCCCN)C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)C2=CSC(=N2)C(=O)C(C)C)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4

Canonical SMILES

CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCN)NC(=O)[C@H](CCCCN)N(C(=O)[C@@H](NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)c2csc(C(=O)C(C)C)n2)[C@@H](C)CC)C(=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)NC1=O