(2S)-1-[(2S)-1-[(2S)-2-[(2R)-2-[(2S)-3-(benzyloxy)-2-[(2S)-2-[(2S)-2-[(2S,3R)-3-(benzyloxy)-2-[(2S)-2-[(2S)-2-[(2R)-2-{[(2S)-1-[(tert-butoxy)carbonyl]pyrrolidin-2-yl]formamido}-3-[(acetamidomethyl)sulfanyl]propanamido]-3-methylbutanamido]propanamido]butanamido]-5-[N'-(4-methylbenzenesulfonyl)carbamimidamido]pentanamido]-4-(cyclohexyloxy)-4-oxobutanamido]propanamido]-3-[(acetamidomethyl)sulfanyl]propanamido]-6-({[(2-chlorophenyl)methoxy]carbonyl}amino)hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid

化合物标识与属性

PubChem CID

177536947

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=N)NCCC[C@@H](C(=O)N[C@@H](CC(=O)OC2CCCCC2)C(=O)N[C@@H](COCC3=CC=CC=C3)C(=O)N[C@@H](CSCNC(=O)C)C(=O)N[C@@H](CCCCNC(=O)OCC4=CC=CC=C4Cl)C(=O)N5CCC[C@H]5C(=O)N6CCC[C@H]6C(=O)O)NC(=O)[C@H]([C@@H](C)OCC7=CC=CC=C7)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CSCNC(=O)C)NC(=O)[C@@H]8CCCN8C(=O)OC(C)(C)C

Canonical SMILES

CC(=O)NCSC[C@H](NC(=O)[C@H](COCc1ccccc1)NC(=O)[C@H](CC(=O)OC1CCCCC1)NC(=O)[C@H](CCCNC(=N)NS(=O)(=O)c1ccc(C)cc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)C)[C@@H](C)OCc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1Cl)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O