2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2R)-2-[(2S,3S)-2-{[(2S)-1-[(2S)-1-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2R)-2-[(2S)-2-amino-5-{N'-[(2,2,5,7,8-pentamethyl-3,4-dihydro-2H-1-benzopyran-6-yl)sulfonyl]carbamimidamido}pentanamido]-3-[(triphenylmethyl)sulfanyl]propanamido]-3-(tert-butoxy)butanamido]-6-{[(tert-butoxy)carbonyl]amino}hexanamido]-3-(tert-butoxy)propanamido]-3-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]-3-[(triphenylmethyl)sulfanyl]propanamido]-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}-4-(tert-butoxy)-4-oxobutanamido]acetic acid

化合物标识与属性

PubChem CID

177487103

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)NCC(=O)O)NC(=O)[C@@H]6CCCN6C(=O)[C@@H]7CCCN7C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H]([C@@H](C)OC(C)(C)C)NC(=O)[C@H](CSC(C8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1)NC(=O)[C@H](CCCNC(=N)NS(=O)(=O)C1=C(C2=C(C(=C1C)C)OC(CC2)(C)C)C)N

Canonical SMILES

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H](NC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@@H](N)CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CCC(C)(C)O2)[C@@H](C)OC(C)(C)C)[C@@H](C)CC)C(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)NCC(=O)O