(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2R)-3-[4-(N''-butyl-N'-cyanocarbamimidamido)phenyl]-2-[(2S)-3-(1H-imidazol-4-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]propanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(pyridin-3-yl)propanamido]-N-[(2S)-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-6-[(propan-2-yl)amino]hexan-2-yl]-4-methylpentanamide

化合物标识与属性

PubChem CID

101609866

SMILES

CCCCN=C(NC#N)NC1=CC=C(C=C1)C[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@H](CC3=CN=CC=C3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N4CCC[C@H]4C(=O)N[C@H](C)C(=O)N)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6

Canonical SMILES

CCCCN=C(NC#N)Nc1ccc(C[C@@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCC(=O)N2)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2cccnc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(N)=O)cc1