EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:53236 - captopril disulfide

Default Structure
ChEBI IDCHEBI:53236
ChEBI Namecaptopril disulfide
Stars
DefinitionAn organic disulfide in which the disulfide bond links two units of captopril. It is a secondary metabolite of captopril.
Last Modified22 May 2013
Submitterzjosephs
DownloadsMolfile
FormulaC18H28N2O6S2
Net Charge0
Average Mass432.564
Monoisotopic Mass432.13888
SMILESCC(CSSC[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C18H28N2O6S2/c1-11(15(21)19-7-3-5-13(19)17(23)24)9-27-28-10-12(2)16(22)20-8-4-6-14(20)18(25)26/h11-14H,3-10H2,1-2H3,(H,23,24)(H,25,26)/t11-,12?,13+,14+/m1/s1
InChIKeyZWKRXBCJAUKDCI-KRCVMZOZSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
captopril disulfide (CHEBI:53236) has functional parent captopril (CHEBI:3380)
captopril disulfide (CHEBI:53236) has role metabolite (CHEBI:25212)
captopril disulfide (CHEBI:53236) is a organic disulfide (CHEBI:35489)
IUPAC Name 
(2S)-1-[(2S)-3-({3-[(2S)-2-carboxypyrrolidin-1-yl]-2-methyl-3-oxopropyl}disulfanyl)-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
Synonyms  Source
1,1'-[disulfanylbis(2-methyl-1-oxopropane-3,1-diyl)]bis[L-proline]ChEBI
1,1'-(dithiobis(2-methyl-1-oxo-3,1-propanediyl))bis-(S-(R*,R*))-L-ProlineChemIDplus
1,1'-[dithiobis(D-2-methyl-1-oxopropane-3,1-diyl)]bis[L-proline]ChEBI
captopril disulphideChEBI
CP-S-S-CPChEBI
CPS-SCPChEBI
Registry NumbersSources
Beilstein:4030464Beilstein
CAS:64806-05-9ChemIDplus
Citations