EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:177493 - Avagacestat

ChEBI IDCHEBI:177493
ChEBI NameAvagacestat
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H17ClF4N4O4S
Net Charge0
Average Mass520.892
Monoisotopic Mass520.05952
SMILESNC(=O)[C@@H](CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H17ClF4N4O4S/c21-14-3-5-15(6-4-14)34(31,32)29(17(18(26)30)7-8-20(23,24)25)10-13-2-1-12(9-16(13)22)19-27-11-33-28-19/h1-6,9,11,17H,7-8,10H2,(H2,26,30)/t17-/m1/s1
InChIKeyXEAOPVUAMONVLA-QGZVFWFLSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Avagacestat (CHEBI:177493) is a oxadiazole (CHEBI:46685)
Avagacestat (CHEBI:177493) is a ring assembly (CHEBI:36820)
IUPAC Name 
(2R)-2-[(4-chlorophenyl)sulonyl-[[2-luoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-triluoropentanamide
Manual XrefsDatabases
D09869KEGG DRUG
24670668ChemSpider
DB11893DrugBank
EN9PDBeChem
LSM-45535LINCS
Registry NumbersSources
CAS:1146699-66-2ChemIDplus