CHEBI:59877 - enalaprilat dihydrate

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ChEBI Name enalaprilat dihydrate
ChEBI ID CHEBI:59877
Definition The dihydrate form of enalaprilat, an angiotensin-converting enzyme (ACE) inhibitor that is used (often in the form of its prodrug, enalapril) in the treatment of hypertension and heart failure, for reduction of proteinuria and renal disease in patients with nephropathies, and for the prevention of stroke, myocardial infarction, and cardiac death in high-risk patients. Unlike enalapril, enalaprilat is not absorbed by mouth but is administered by intravenous injection.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C18H28N2O7
Net Charge 0
Average Mass 384.42410
Monoisotopic Mass 384.18965
InChI InChI=1S/C18H24N2O5.2H2O/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13;;/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25);2*1H2/t12-,14-,15-;;/m0../s1
InChIKey MZYVOFLIPYDBGD-MLZQUWKJSA-N
SMILES O.O.C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Roles Classification
Biological Role(s): EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
An EC 3.4.15.* (peptidyl-dipeptidase) inhibitor that interferes with the action of peptidyl-dipeptidase A (EC 3.4.15.1).
Application(s): EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
An EC 3.4.15.* (peptidyl-dipeptidase) inhibitor that interferes with the action of peptidyl-dipeptidase A (EC 3.4.15.1).
antihypertensive agent
Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
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ChEBI Ontology
Outgoing enalaprilat dihydrate (CHEBI:59877) has part enalaprilat (anhydrous) (CHEBI:4786)
enalaprilat dihydrate (CHEBI:59877) has role antihypertensive agent (CHEBI:35674)
enalaprilat dihydrate (CHEBI:59877) has role EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor (CHEBI:35457)
enalaprilat dihydrate (CHEBI:59877) is a hydrate (CHEBI:35505)
IUPAC Name
N-[(1S)-1-carboxy-3-phenylpropyl]-L-alanyl-L-proline—water (1/2)
Synonyms Sources
1-(N-((S)-1-carboxy-3-phenylpropyl)-L-alanyl)-L-proline dihydrate ChemIDplus
enalaprilat ChemIDplus
enalprilat hydrate ChEBI
enalprilate hydrate ChemIDplus
Manual Xrefs Databases
D03769 KEGG DRUG
DB00584 DrugBank
View more database links
Registry Number Type Source
84680-54-6 CAS Registry Number ChemIDplus
Last Modified
27 July 2010