Chemical Compound

(4S)-4-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-4-carbamoyl-2-[(2S)-4-carboxy-2-[(2S)-2-{[3-(3-{[2-({1-[(2R,4S,5R)-4-hydroxy-5-({[hydroxy({[hydroxy(phosphonooxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-2-yl]-2-oxo-1,2-dihydropyrimidin-4-yl}amino)ethyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)phenyl]formamido}propanamido]butanamido]butanamido]hexanamido]-4-methylpentanamido]-3-methylpentanamido]-3-hydroxypropanamido]-4-carboxybutanamido]-4-{[(1S)-2-carboxy-1-{[(1S)-1-{[(1S)-1,2-dicarbamoylethyl]carbamoyl}-3-methylbutyl]carbamoyl}ethyl]carbamoyl}butanoic acid

Primary record

化合物标识与属性

PubChem CID: 177548735
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)C1=CC(=CC=C1)N2C(=O)CC(C2=O)SCCNC3=NC(=O)N(C=C3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
Canonical SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)c1cccc(N2C(=O)CC(SCCNc3ccn([C@H]4C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O4)c(=O)n3)C2=O)c1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O