CHEBI:99864 - (2R,3R,3aS,9bS)-1-[(3-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2R,3R,3aS,9bS)-1-[(3-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
ChEBI ID CHEBI:99864
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H21F4N3O3
Net Charge 0
Average Mass 439.404
Monoisotopic Mass 439.15190
InChI InChI=1S/C21H21F4N3O3/c22-13-4-1-3-12(7-13)8-28-18-14(9-27-16(18)5-2-6-17(27)30)15(10-29)19(28)20(31)26-11-21(23,24)25/h1-7,14-15,18-19,29H,8-11H2,(H,26,31)/t14-,15-,18+,19-/m1/s1
InChIKey LKWCVEYJHHUNKM-VVWQDTPRSA-N
SMILES C1[C@@H]2[C@H]([C@@H](N([C@@H]2C3=CC=CC(=O)N31)CC4=CC(=CC=C4)F)C(=O)NCC(F)(F)F)CO
ChEBI Ontology
Outgoing (2R,3R,3aS,9bS)-1-[(3-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (CHEBI:99864) is a amino acid amide (CHEBI:22475)
Manual Xref Database
LSM-11243 LINCS
View more database links