EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C21H21F4N3O3 |
| Net Charge | 0 |
| Average Mass | 439.409 |
| Monoisotopic Mass | 439.15190 |
| SMILES | O=C(NCC(F)(F)F)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@H]2N1Cc1cccc(F)c1 |
| 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 |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (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 Xrefs | Databases |
|---|---|
| LSM-11243 | LINCS |