EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:102146 - (2S,3S,3aR,9bR)-7-(4-fluorophenyl)-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-1-(1-oxopropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

ChEBI IDCHEBI:102146
ChEBI Name(2S,3S,3aR,9bR)-7-(4-fluorophenyl)-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-1-(1-oxopropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
Stars
DownloadsMolfile
FormulaC23H26FN3O4
Net Charge0
Average Mass427.476
Monoisotopic Mass427.19073
SMILESCCC(=O)N1[C@H](C(=O)N(C)C)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]21
InChIInChI=1S/C23H26FN3O4/c1-4-19(29)27-20-16(17(12-28)21(27)23(31)25(2)3)11-26-18(20)10-9-15(22(26)30)13-5-7-14(24)8-6-13/h5-10,16-17,20-21,28H,4,11-12H2,1-3H3/t16-,17-,20+,21-/m0/s1
InChIKeyOMUHXYIQFYOIMG-PZBISTMVSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,3aR,9bR)-7-(4-fluorophenyl)-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-1-(1-oxopropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (CHEBI:102146) is a phenylpyridine (CHEBI:38193)
Manual XrefsDatabases
LSM-13505LINCS