Name: KKI-5
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT217659593
Cas No:97145-43-2
常用名:KKI-5
IUPAC:(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-acetylpyrrolidin-2-yl]formamido}-3-phenylpropanamido]-5-carbamimidamidopentanamido]-3-hydroxypropanamido]-3-methylbutanamido]pentanediamide
IUPAC:(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-acetylpyrrolidin-2-yl]formamido}-3-phenylpropanamido]-5-carbamimidamidopentanamido]-3-hydroxypropanamido]-3-methylbutanamido]pentanediamide
InChI key:OOZYLOMMGMLDHT-BIVGDOEESA-N

分子式:C35H55N11O9
分子量:773.893
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O
SMILES:CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O

KKI 5 is a serine protease inhibitor that inhibits kallikrein and plasmin. KKI 5 may exhibit anticancer chemotherapeutic benefit and may also be used as a treatment for angioedema.

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