Molecular Identity
Captopril
(2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
PubChem CID: 44093
Captopril is a L-proline derivative in which L-proline is substituted on nitrogen with a (2S)-2-methyl-3-sulfanylpropanoyl group. It is used as an anti-hypertensive ACE inhibitor drug. It has a role as an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor and an antihypertensive agent. It is a pyrrolidinemonocarboxylic acid, a N-acylpyrrolidine, an alkanethiol and a L-proline derivative.
2D Structure
Properties
C9H15NO3S
Molecular Formula
217.29
Molecular Weight
g/mol
217.0773
Exact Mass
Da
0.3
XLogP
Drug-like (Lipinski: < 5)
58.6
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
244
Complexity
SMILES
Canonical SMILES
SMILES: CC(CS)C(=O)N1CCCC1C(=O)OIsomeric SMILES
SMILES: C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)OSynonyms(20)
captopril62571-86-2CapotenL-CaptoprilCaptoprylAcepressCaptorilGarranilCesplonCaptolaneTensoprelDilabarLoprilAlopresinHypertil
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Captopril
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