Enalaprilat

Synonyms: Enalaprilat, "Enalapril acid", "Enalaprilate", "Enalaprilatum", "Enalaprilic acid", "Enalapril diacid", "Enalaprilat anhydrous", "enalaprilat (anhydrous)", "N-[(1S)-1-carboxy-3-phenylpropyl]-L-alanyl-L-proline", "Enalaprilat hydrate", "(S)-1-((S)-2-(((S)-1-Carboxy-3-phenylpropyl)amino)propanoyl)pyrrolidine-2-carboxylic acid"

Source: Enalaprilat is the active metabolite of enalapril.

Identifiers:

IUPAC Name: (2S)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CAS Number: 76420-72-9
PubChem ID: 5462501
InChiKey: LZFZMUMEGBBDTC-QEJZJMRPSA-N
Canonical SMILES: CC(C(=O)N1CCCC1C(=O)O)NC(CCC2=CC=CC=C2)C(=O)O

Structural Properties:

Molecular Formula: C₁₈H₂₄N₂O₅
Molecular Weight: 348,400

Pharmacophore Features:

Number of bond donors: 3
Number of bond acceptors: 6
Number of atoms different from hydrogen: 25

Downloads

2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

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.

External Links

PubChem

PubMed (general search)

PubMed (search as emerging contaminant)

2D-structure

3D-structure