EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:99184 - (2R,3R,3aS,9bS)-N-ethyl-7-(4-fluorophenyl)-3-(hydroxymethyl)-6-oxo-1-[1-oxo-2-(3-pyridinyl)ethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

ChEBI IDCHEBI:99184
ChEBI Name(2R,3R,3aS,9bS)-N-ethyl-7-(4-fluorophenyl)-3-(hydroxymethyl)-6-oxo-1-[1-oxo-2-(3-pyridinyl)ethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
Stars
DownloadsMolfile
FormulaC27H27FN4O4
Net Charge0
Average Mass490.535
Monoisotopic Mass490.20163
SMILESCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@H]2N1C(=O)Cc1cccnc1
InChIInChI=1S/C27H27FN4O4/c1-2-30-26(35)25-21(15-33)20-14-31-22(10-9-19(27(31)36)17-5-7-18(28)8-6-17)24(20)32(25)23(34)12-16-4-3-11-29-13-16/h3-11,13,20-21,24-25,33H,2,12,14-15H2,1H3,(H,30,35)/t20-,21-,24+,25-/m1/s1
InChIKeyKPWZAVBDHNROKR-KZKYLIHBSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,3aS,9bS)-N-ethyl-7-(4-fluorophenyl)-3-(hydroxymethyl)-6-oxo-1-[1-oxo-2-(3-pyridinyl)ethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (CHEBI:99184) is a phenylpyridine (CHEBI:38193)
Manual XrefsDatabases
LSM-10563LINCS