Perindoprilat

Synonyms: Perindoprilate, "Perindoprilato", "Perindoprilatum", "(2S,3aS,7aS)-1-((S)-N-((S)-1-Carboxybutyl)alanyl)hexahydro-2-indolinecarboxylic acid"

Source: Perindoprilat is a metabolite of perindopril.

Identifiers:

IUPAC Name: (2S,3aS,7aS)-1-[(2S)-2-[[(1S)-1-carboxybutyl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CAS Number: 95153-31-4
PubChem ID: 72022
InChiKey: ODAIHABQVKJNIY-PEDHHIEDSA-N
Canonical SMILES: CCCC(C(=O)O)NC(C)C(=O)N1C2CCCCC2CC1C(=O)O

Structural Properties:

Molecular Formula: C₁₇H₂₈N₂O₅
Molecular Weight: 340,400

Pharmacophore Features:

Number of bond donors: 3
Number of bond acceptors: 6
Number of atoms different from hydrogen: 24

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

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Evidence Supporting This Chemical as an Emerging Contaminant

Syakti, A. D., Ahmed, M. M., Hidayati, N. V., Hilmi, E., Sulystyo, I., Piram, A., & Doumenq, P. (2013). Screening of emerging pollutants in the mangrove of Segara Anakan Nature Reserve, Indonesia. IERI Procedia, 5, 216-222.

External Links

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2D-structure

3D-structure