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Basic information
- CAS
74258-86-9- Standard 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- Molecular formula
- C20H26N2O5S
- Average molar mass
- 406.5 g/mol
- Monoisotopic mass
- 406.15624293
Overview
Alacepril is a dipeptide and a thioacetate ester. It has a role as an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor.
Names & identifiers
- Preferred name
- Alacepril
- IUPAC
- (2S)-2-[[(2S)-1-[(2S)-3-acetylsulfanyl-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
Names & synonyms
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
Show more names
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
Database identifiers
- CAS
74258-86-9- PubChem CID
- 71992
- DTXSID
DTXSID3048576- ChEMBL
CHEMBL2103775- ChEBI
CHEBI:31182- UNII
- X39TL7JDPF
- Nikkaji
- J22.086H
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 591
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
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.
Related reactions
1 records
Compound notes
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