(2S)-2-{[(2S,3aS,7aS)-1-[(3R)-2-[(2S)-2-(2-{[(2S,4R)-1-[(2S)-1-[(2S)-5-carbamimidamido-2-[(2R)-5-carbamimidamido-2-[(4-iodophenyl)formamido]pentanamido]pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidin-2-yl]formamido}acetamido)-3-hydroxypropanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-octahydro-1H-indol-2-yl]formamido}-5-carbamimidamidopentanoic acid

化合物标识与属性

PubChem CID

101656454

SMILES

C1CC[C@H]2[C@@H](C1)C[C@H](N2C(=O)[C@H]3CC4=CC=CC=C4CN3C(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]5C[C@H](CN5C(=O)[C@@H]6CCCN6C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)C7=CC=C(C=C7)I)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O

Canonical SMILES

NC(N)=NCCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)c1ccc(I)cc1)C(=O)O