tert-butyl N-[(1S)-2-{4-[bis(2-chloroethyl)amino]phenyl}-1-{[(1S)-1-[({[(1S,2R)-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(1S)-1-{[(1S)-1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl](2,4-dinitrophenyl)carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propyl]carbamoyl}-2-hydroxypropyl]carbamoyl}methyl)carbamoyl]-3-methylbutyl]carbamoyl}ethyl]carbamate

化合物标识与属性

PubChem CID

136917665

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N(C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])[C@@H](CC4=CN=CN4)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC5=CC=C(C=C5)N(CCCl)CCCl)NC(=O)OC(C)(C)C)O

Canonical SMILES

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)OC(C)(C)C)[C@@H](C)O)C(C)C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(N)=O