Name: R 892
Rating: 5 (10 reviews)

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HIT ID:HIT218852080
Cas No:229030-05-1
常用名:R 892
IUPAC:(2S,3S)-2-[(2R)-2-[(2S)-2-[(2S)-2-(2-{[(2S)-1-[(2S)-1-[(2S)-2-[(2S)-6-amino-2-acetamidohexanamido]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}-N-methylacetamido)-3-phenylpropanamido]-3-hydroxypropanamido]-3-(naphthalen-2-yl)propanamido]-3-methylpentanoic acid
IUPAC:(2S,3S)-2-[(2R)-2-[(2S)-2-[(2S)-2-(2-{[(2S)-1-[(2S)-1-[(2S)-2-[(2S)-6-amino-2-acetamidohexanamido]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]formamido}-N-methylacetamido)-3-phenylpropanamido]-3-hydroxypropanamido]-3-(naphthalen-2-yl)propanamido]-3-methylpentanoic acid
InChI key:QHTQATPXYIWRNI-JQUYBNPISA-N

分子式:C58H83N13O12
分子量:1154.381
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(C)=O)C(O)=O
SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(C)=O)C(O)=O

Potent and selective bradykinin B1 receptor antagonist (ID50 values are 2.8 and > 600 nM at B1 and B2 receptors respectively). Exhibits no intrinsic agonist activity and is resistant to aminopeptidase and kininase II (ACE) cleavage. Displays hypertensive activity in vivo.

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