enalapril
(2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid
Molecular Identity
enalapril
(2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID: 5388962
Enalapril is a dicarboxylic acid monoester that is ethyl 4-phenylbutanoate in which a hydrogen alpha to the carboxy group is substituted by the amino group of L-alanyl-L-proline (S-configuration). It has a role as a geroprotector, an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor, an antihypertensive agent and a prodrug. It is a dicarboxylic acid monoester and a dipeptide. It is functionally related to an enalaprilat (anhydrous).
2D Structure
Properties
C20H28N2O5
Molecular Formula
376.40
Molecular Weight
g/mol
376.1998
Exact Mass
Da
-0.1
XLogP
Drug-like (Lipinski: < 5)
95.9
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
519
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
enalapril75847-73-3EnalaprilaEnalaprilumBonutenOlinapril69PN84IO1ADTXSID5022982C09AA02(S)-1-(N-(1-(Ethoxycarbonyl)-3-phenylpropyl)-L-alanyl)-L-proline1-(N-((S)-1-Carboxy-3-phenylpropyl)-L-alanyl)-L-proline 1'-ethyl esterCHEBI:4784DTXCID202982(2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acidL-Proline, N-[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]-L-alanyl-
Data from PubChem (NCBI)
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