CHEBI:177593 - libenzapril

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name libenzapril
ChEBI ID CHEBI:177593
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H25N3O5
Net Charge 0
Average Mass 363.414
Monoisotopic Mass 363.17942
InChI InChI=1S/C18H25N3O5/c19-10-4-3-6-14(18(25)26)20-13-9-8-12-5-1-2-7-15(12)21(17(13)24)11-16(22)23/h1-2,5,7,13-14,20H,3-4,6,8-11,19H2,(H,22,23)(H,25,26)/t13-,14-/m0/s1
InChIKey AXTCRUUITQKBAV-KBPBESRZSA-N
SMILES O=C1N(C=2C(CC[C@@H]1N[C@@H](CCCCN)C(O)=O)=CC=CC2)CC(O)=O
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in sausage (ENVO:00002166). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing libenzapril (CHEBI:177593) is a dipeptide (CHEBI:46761)
IUPAC Name
(2S)-6-amino-2-[[(3S)-1-(carboxymethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]hexanoic acid
Manual Xrefs Databases
64428 ChemSpider
D03758 KEGG DRUG
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Registry Number Type Source
109214-55-3 CAS Registry Number ChemIDplus