(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-(2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanamido]-4-carbamoylbutanamido]-4-methylpentanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}acetamido)-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}hexanamido]-3-phenylpropanoic acid

化合物标识与属性

PubChem CID

16147203

SMILES

CCCC[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CC6=CNC=N6)NC(=O)[C@H](CC7=CC(=C(C(=C7)I)O)I)N

Canonical SMILES

CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1cc(I)c(O)c(I)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O