Alacepril

HCID 71992CAS 74258-86-9

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(=O)SC[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIKey: FHHHOYXPRDYHEZ-COXVUDFISA-N
分子式: C20H26N2O5S
平均分子量: 406.5 g/mol
単同位体質量: 406.15624293

概要

Alacepril is a dipeptide and a thioacetate ester. It has a role as an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor.

名称と識別子

優先名称: Alacepril
IUPAC: (2S)-2-[[(2S)-1-[(2S)-3-acetylsulfanyl-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid

名称と別名

alacepril74258-86-9CetaprilAlaceprilumaraceprilDU-1219DTXSID3048576X39TL7JDPF1-(D-3-Acetylthio-2-methylpropanoyl)-L-prolyl-L-phenylalanineNSC-338157N-(1-((S)-3-Mercapto-2-methylpropionyl)-L-prolyl)-3-phenyl-L-alanine acetate (ester)DTXCID3028502

名称をさらに表示

N-(1-(3-(acetylthio)-2-methyl-1-oxopropyl)-L-prolyl)-L-phenylalanineRefChem:915340(2S)-2-((2S)-1-((2S)-3-(Acetylsulfanyl)-2-methylpropanoyl)pyrrolidine-2-carbonyl)amino-3-phenylpropanoic acidCetapril (TN)DU 12191-[(2s)-3-(acetylsulfanyl)-2-methylpropanoyl]-l-prolyl-l-phenylalanineN-(2-((S)-3-Acetylthio-2-methylpropionyl)propyl)-3-phenylalanin(2S)-2-[[(2S)-1-[(2S)-3-acetylsulfanyl-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid

データベース識別子

CAS: 74258-86-9
PubChem CID: 71992
DTXSID: DTXSID3048576
ChEMBL: CHEMBL2103775
ChEBI: CHEBI:31182
UNII: X39TL7JDPF
Nikkaji: J22.086H

物性

構造計算による物性

XLogP: 2.1
極性表面積: 129 Å²
水素結合供与体数: 2
水素結合受容体数: 6
回転可能結合数: 9
重原子数: 28
形式電荷: 0
複雑度: 591

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

A class of drugs whose main indications are the treatment of hypertension and heart failure. They exert their hemodynamic effect mainly by inhibiting the renin-angiotensin system. They also modulate sympathetic nervous system activity and increase prostaglandin synthesis. They cause mainly vasodilation and mild natriuresis without affecting heart rate and contractility.

Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.