EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H23F4N3O3 |
| Net Charge | 0 |
| Average Mass | 453.436 |
| Monoisotopic Mass | 453.16755 |
| SMILES | O=C(NCc1ccc(F)cc1)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]2N1CCC(F)(F)F |
| InChI | InChI=1S/C22H23F4N3O3/c23-14-6-4-13(5-7-14)10-27-21(32)20-16(12-30)15-11-29-17(2-1-3-18(29)31)19(15)28(20)9-8-22(24,25)26/h1-7,15-16,19-20,30H,8-12H2,(H,27,32)/t15-,16-,19+,20-/m0/s1 |
| InChIKey | CPSLJULDKOVODL-FEHORTKBSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,3S,3aR,9bR)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-1-(3,3,3-trifluoropropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (CHEBI:102207) is a amino acid amide (CHEBI:22475) |
| Manual Xrefs | Databases |
|---|---|
| LSM-13565 | LINCS |