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CHEBI:82601 - zofenopril(1−)

ChEBI IDCHEBI:82601
ChEBI Namezofenopril(1−)
Stars
ASCII Namezofenopril(1-)
DefinitionA monocarboxylic acid anion that is the conjugate base of zofenopril, obtained by deprotonation of the carboxy group.
Last Modified31 July 2014
SubmitterSteve
DownloadsMolfile
FormulaC22H22NO4S2
Net Charge-1
Average Mass428.555
Monoisotopic Mass428.09957
SMILESC[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)[O-]
InChIInChI=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
InChIKeyIAIDUHCBNLFXEF-MNEFBYGVSA-M
ChEBI Ontology
Outgoing Relation(s)
zofenopril(1−) (CHEBI:82601) is a monocarboxylic acid anion (CHEBI:35757)
zofenopril(1−) (CHEBI:82601) is conjugate base of zofenopril (CHEBI:78539)
Incoming Relation(s)
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 anionChEBI