zofenopril   

GtoPdb Ligand ID: 6462

Synonyms: SO-26991 | SQ-26900
zofenopril is an approved drug
Compound class: Synthetic organic
Comment: Metabolised to the active from zofenoprilat. The United States Adopted Name (USAN) for this compound is zofenopril calcium (PubChem CID 3033690).
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 125.28
Molecular weight 429.11
XLogP 4.11
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C(N1CC(CC1C(=O)O)Sc1ccccc1)C(CSC(=O)c1ccccc1)C
Isomeric SMILES O=C(N1C[C@H](C[C@H]1C(=O)O)Sc1ccccc1)[C@@H](CSC(=O)c1ccccc1)C
InChI InChI=1S/C22H23NO4S2/c1-15(14-28-22(27)16-8-4-2-5-9-16)20(24)23-13-18(12-19(23)21(25)26)29-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3,(H,25,26)/t15-,18+,19+/m1/s1
InChI Key IAIDUHCBNLFXEF-MNEFBYGVSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes
Is prodrug? Yes
Active form zofenoprilat
IUPAC Name
(2S,4S)-1-[(2S)-3-(benzoylsulfanyl)-2-methylpropanoyl]-4-phenylsulfanylpyrrolidine-2-carboxylic acid
International Nonproprietary Names
INN number INN
5535 zofenopril
Synonyms
SO-26991 | SQ-26900
Database Links
CAS Registry No. 81872-10-8 (source: PubChem)
ChEMBL Ligand CHEMBL331378
DrugCentral Ligand 2866
GtoPdb PubChem SID 178103076
PubChem CID 92400
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Wikipedia Zofenopril