Enalapril

Synonyms: "Vasotec", "Enalapril Richet", "1-(N-((S)-1-Carboxy-3-phenylpropyl)-L-alanyl)-L-proline 1'-ethyl ester"

Source: Enalapril is used to treat hypertension, symptomatic heart failure, and asymptomatic left ventricular dysfunction.

Identifiers:

IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CAS Number: 75847-73-3
PubChem ID: 5388962
InChiKey: GBXSMTUPTTWBMN-XIRDDKMYSA-N
Canonical SMILES: CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCCC2C(=O)O

Structural Properties:

Molecular Formula: C₂₀H₂₈N₂O₅
Molecular Weight: 376,400

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 6
Number of atoms different from hydrogen: 27

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Evidence Supporting This Chemical as an Emerging Contaminant

Banjac, Z., Ginebreda, A., Kuzmanovic, M., Marc?, R., Nadal, M., Riera, J. M., & Barcel?, D. (2015). Emission factor estimation of ca. 160 emerging organic microcontaminants by inverse modeling in a Mediterranean river basin (Llobregat, NE Spain). Science of the Total Environment, 520, 241-252.

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