EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:130486 - (2R,3R,3aS,9bS)-7-(1-cyclohexenyl)-1-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-N-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

ChEBI IDCHEBI:130486
ChEBI Name(2R,3R,3aS,9bS)-7-(1-cyclohexenyl)-1-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-N-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
Stars
DownloadsMolfile
FormulaC28H34FN3O3
Net Charge0
Average Mass479.596
Monoisotopic Mass479.25842
SMILESCCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]2N1Cc1ccccc1F
InChIInChI=1S/C28H34FN3O3/c1-2-14-30-27(34)26-22(17-33)21-16-31-24(13-12-20(28(31)35)18-8-4-3-5-9-18)25(21)32(26)15-19-10-6-7-11-23(19)29/h6-8,10-13,21-22,25-26,33H,2-5,9,14-17H2,1H3,(H,30,34)/t21-,22-,25+,26-/m1/s1
InChIKeyMVKXBUFIGWZLPT-ULDOEVFSSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,3aS,9bS)-7-(1-cyclohexenyl)-1-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-N-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (CHEBI:130486) is a amino acid amide (CHEBI:22475)
Manual XrefsDatabases
LSM-42035LINCS