CHEBI:53236 - captopril disulfide

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ChEBI Name captopril disulfide
ChEBI ID CHEBI:53236
Definition An organic disulfide in which the disulfide bond links two units of captopril. It is a secondary metabolite of captopril.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C18H28N2O6S2
Net Charge 0
Average Mass 432.55500
Monoisotopic Mass 432.13888
InChI InChI=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
InChIKey ZWKRXBCJAUKDCI-KRCVMZOZSA-N
SMILES CC(CSSC[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
1,1'-(dithiobis(2-methyl-1-oxo-3,1-propanediyl))bis-(S-(R*,R*))-L-Proline ChemIDplus
1,1'-[disulfanylbis(2-methyl-1-oxopropane-3,1-diyl)]bis[L-proline] ChEBI
1,1'-[dithiobis(D-2-methyl-1-oxopropane-3,1-diyl)]bis[L-proline] ChEBI
captopril disulphide ChEBI
CP-S-S-CP ChEBI
CPS-SCP ChEBI
SQ 14,551 ChemIDplus
Registry Numbers Types Sources
4030464 Beilstein Registry Number Beilstein
64806-05-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
22 May 2013