EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:102727 - (2R,3R,3aS,9bS)-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-7-phenyl-1-(3,3,3-trifluoropropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

ChEBI IDCHEBI:102727
ChEBI Name(2R,3R,3aS,9bS)-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-7-phenyl-1-(3,3,3-trifluoropropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
Stars
DownloadsMolfile
FormulaC23H26F3N3O3
Net Charge0
Average Mass449.473
Monoisotopic Mass449.19263
SMILESCN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]2N1CCC(F)(F)F
InChIInChI=1S/C23H26F3N3O3/c1-27(2)22(32)20-17(13-30)16-12-29-18(19(16)28(20)11-10-23(24,25)26)9-8-15(21(29)31)14-6-4-3-5-7-14/h3-9,16-17,19-20,30H,10-13H2,1-2H3/t16-,17-,19+,20-/m1/s1
InChIKeyLSVFVIWAXGKISN-IZBJGVDFSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,3aS,9bS)-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-7-phenyl-1-(3,3,3-trifluoropropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (CHEBI:102727) is a phenylpyridine (CHEBI:38193)
Manual XrefsDatabases
LSM-14073LINCS