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CHEBI:167777 - Ingliforib

ChEBI IDCHEBI:167777
ChEBI NameIngliforib
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H24ClN3O5
Net Charge0
Average Mass457.914
Monoisotopic Mass457.14045
SMILESO=C(N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N1C[C@@H](O)[C@@H](O)C1)c1cc2cc(Cl)ccc2n1
InChIInChI=1S/C23H24ClN3O5/c24-15-6-7-16-14(9-15)10-18(25-16)22(31)26-17(8-13-4-2-1-3-5-13)21(30)23(32)27-11-19(28)20(29)12-27/h1-7,9-10,17,19-21,25,28-30H,8,11-12H2,(H,26,31)/t17-,19-,20+,21+/m0/s1
InChIKeyGVDRRZOORHCTAN-MJUUVYJYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2542)
ChEBI Ontology
Outgoing Relation(s)
Ingliforib (CHEBI:167777) is a indolecarboxamide (CHEBI:46921)
IUPAC Name 
5-chloro-N-[(2S,3R)-4-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1H-indole-2-carboxamide
Manual XrefsDatabases
4953797ChemSpider
D04537KEGG DRUG
Registry NumbersSources
CAS:186392-65-4ChemIDplus