EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:114817 - (2R,3R,3aS,9bS)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-1-[oxo(3-pyridinyl)methyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

ChEBI IDCHEBI:114817
ChEBI Name(2R,3R,3aS,9bS)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-1-[oxo(3-pyridinyl)methyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
Stars
DownloadsMolfile
FormulaC25H23FN4O4
Net Charge0
Average Mass462.481
Monoisotopic Mass462.17033
SMILESO=C(NCc1ccc(F)cc1)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@H]2N1C(=O)c1cccnc1
InChIInChI=1S/C25H23FN4O4/c26-17-8-6-15(7-9-17)11-28-24(33)23-19(14-31)18-13-29-20(4-1-5-21(29)32)22(18)30(23)25(34)16-3-2-10-27-12-16/h1-10,12,18-19,22-23,31H,11,13-14H2,(H,28,33)/t18-,19-,22+,23-/m1/s1
InChIKeyUPOVAPIOUWKYFQ-PJIZGREPSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,3aS,9bS)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-1-[oxo(3-pyridinyl)methyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (CHEBI:114817) is a amino acid amide (CHEBI:22475)
Manual XrefsDatabases
LSM-26279LINCS