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CHEBI:191125 - Lisinopril (8r,s)-diketopiperazine

ChEBI IDCHEBI:191125
ChEBI NameLisinopril (8r,s)-diketopiperazine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H29N3O4
Net Charge0
Average Mass387.480
Monoisotopic Mass387.21581
SMILES[H][C@]12CCCN1C(=O)[C@H](CCCCN)N([C@@H](CCc1ccccc1)C(=O)O)C2=O
InChIInChI=1S/C21H29N3O4/c22-13-5-4-9-17-19(25)23-14-6-10-16(23)20(26)24(17)18(21(27)28)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18H,4-6,9-14,22H2,(H,27,28)/t16-,17+,18+/m1/s1
InChIKeyFUEMHWCBWYXAOU-SQNIBIBYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Lisinopril (8r,s)-diketopiperazine (CHEBI:191125) is a dipeptide (CHEBI:46761)
IUPAC Name 
(2S)-2-[(3S,8aR)-3-(4-aminobutyl)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-4-phenylbutanoic acid
Manual XrefsDatabases
23936480ChemSpider
Registry NumbersSources
CAS:219677-82-4ChemIDplus