EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:101022 - (2R,3R,3aS,9bS)-7-(1-cyclohexenyl)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-1-(1-oxopropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

ChEBI IDCHEBI:101022
ChEBI Name(2R,3R,3aS,9bS)-7-(1-cyclohexenyl)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-1-(1-oxopropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
Stars
DownloadsMolfile
FormulaC28H32FN3O4
Net Charge0
Average Mass493.579
Monoisotopic Mass493.23768
SMILESCCC(=O)N1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C28H32FN3O4/c1-2-24(34)32-25-21(15-31-23(25)13-12-20(28(31)36)18-6-4-3-5-7-18)22(16-33)26(32)27(35)30-14-17-8-10-19(29)11-9-17/h6,8-13,21-22,25-26,33H,2-5,7,14-16H2,1H3,(H,30,35)/t21-,22-,25+,26-/m1/s1
InChIKeyYUSKIZLEIJYDDG-ULDOEVFSSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,3aS,9bS)-7-(1-cyclohexenyl)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-1-(1-oxopropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (CHEBI:101022) is a amino acid amide (CHEBI:22475)
Manual XrefsDatabases
LSM-12395LINCS