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CHEBI:78000 - perindopril(1−)

ChEBI IDCHEBI:78000
ChEBI Nameperindopril(1−)
Stars
ASCII Nameperindopril(1-)
DefinitionA monocarboxylic acid anion that is the conjugate base of perindopril, obtained by deprotonation of the hydroxy group; major species at pH 7.3.
Last Modified31 March 2014
SubmitterSteve
DownloadsMolfile
FormulaC19H31N2O5
Net Charge-1
Average Mass367.466
Monoisotopic Mass367.22385
SMILES[H][C@@]12CCCC[C@]1([H])N(C(=O)[C@H](C)N[C@@H](CCC)C(=O)OCC)[C@H](C(=O)[O-])C2
InChIInChI=1S/C19H32N2O5/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24/h12-16,20H,4-11H2,1-3H3,(H,23,24)/p-1/t12-,13-,14-,15-,16-/m0/s1
InChIKeyIPVQLZZIHOAWMC-QXKUPLGCSA-M
ChEBI Ontology
Outgoing Relation(s)
perindopril(1−) (CHEBI:78000) is a monocarboxylic acid anion (CHEBI:35757)
perindopril(1−) (CHEBI:78000) is conjugate base of perindopril (CHEBI:8024)
Incoming Relation(s)
perindopril arginine (CHEBI:77655) has part perindopril(1−) (CHEBI:78000)
perindopril erbumine (CHEBI:8025) has part perindopril(1−) (CHEBI:78000)
perindopril (CHEBI:8024) is conjugate acid of perindopril(1−) (CHEBI:78000)
IUPAC Name 
(2S,3aS,7aS)-1-{(2S)-2-[(1S)-1-(ethoxycarbonyl)butylamino]propanoyl}octahydro-1H-indole-2-carboxylate