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CHEBI:81005 - Cilazaprilat

ChEBI IDCHEBI:81005
ChEBI NameCilazaprilat
Stars
Last Modified4 December 2019
DownloadsMolfile
FormulaC20H27N3O5
Net Charge0
Average Mass389.452
Monoisotopic Mass389.19507
SMILESO=C(O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O
InChIInChI=1S/C20H27N3O5/c24-18-15(8-4-12-22-13-5-9-17(20(27)28)23(18)22)21-16(19(25)26)11-10-14-6-2-1-3-7-14/h1-3,6-7,15-17,21H,4-5,8-13H2,(H,25,26)(H,27,28)/t15-,16-,17-/m0/s1
InChIKeyUVAUYSRYXACKSC-ULQDDVLXSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Cilazaprilat (CHEBI:81005) is a non-proteinogenic α-amino acid (CHEBI:83925)
Incoming Relation(s)
cilazapril (CHEBI:3698) has functional parent Cilazaprilat (CHEBI:81005)
Synonym  Source
(1S,9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4,6,7,8,9,10-hexahydro-1H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acidKEGG COMPOUND
Manual XrefsDatabases
C17309KEGG COMPOUND
Registry NumbersSources
CAS:90139-06-3KEGG COMPOUND