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CHEBI:183914 - Enalaprilat tert-butyl ester

ChEBI IDCHEBI:183914
ChEBI NameEnalaprilat tert-butyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32N2O5
Net Charge0
Average Mass404.507
Monoisotopic Mass404.23112
SMILESC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C22H32N2O5/c1-15(23-17(20(26)27)13-12-16-9-6-5-7-10-16)19(25)24-14-8-11-18(24)21(28)29-22(2,3)4/h5-7,9-10,15,17-18,23H,8,11-14H2,1-4H3,(H,26,27)/t15-,17-,18-/m0/s1
InChIKeyQNFBUHZOXLSHBK-SZMVWBNQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Enalaprilat tert-butyl ester (CHEBI:183914) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-4-phenylbutanoic acid
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