CHEBI:82601 - zofenopril(1−)

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ChEBI Name zofenopril(1−)
ChEBI ID CHEBI:82601
ChEBI ASCII Name zofenopril(1-)
Definition A monocarboxylic acid anion that is the conjugate base of zofenopril, obtained by deprotonation of the carboxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C22H22NO4S2
Net Charge -1
Average Mass 428.54500
Monoisotopic Mass 428.09957
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)/p-1/t15-,18+,19+/m1/s1
InChIKey IAIDUHCBNLFXEF-MNEFBYGVSA-M
SMILES C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@H](C[C@H]1C([O-])=O)Sc1ccccc1
ChEBI Ontology
Outgoing zofenopril(1−) (CHEBI:82601) is a monocarboxylic acid anion (CHEBI:35757)
zofenopril(1−) (CHEBI:82601) is conjugate base of zofenopril (CHEBI:78539)
Incoming zofenopril calcium (CHEBI:82600) has part zofenopril(1−) (CHEBI:82601)
zofenopril (CHEBI:78539) is conjugate acid of zofenopril(1−) (CHEBI:82601)
IUPAC Name
(2S,4S)-1-[(2S)-3-(benzoylsulfanyl)-2-methylpropanoyl]-4-(phenylsulfanyl)pyrrolidine-2-carboxylate
Synonym Source
zofenopril anion ChEBI
Last Modified
31 July 2014