EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H27FN2O3 |
| Net Charge | 0 |
| Average Mass | 398.478 |
| Monoisotopic Mass | 398.20057 |
| SMILES | CC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@@H]1CN(C(=O)c1ccc(F)cc1)C(C)C |
| InChI | InChI=1S/C23H27FN2O3/c1-15(2)25(23(29)18-9-11-19(24)12-10-18)13-20-22(17-7-5-4-6-8-17)21(14-27)26(20)16(3)28/h4-12,15,20-22,27H,13-14H2,1-3H3/t20-,21+,22+/m0/s1 |
| InChIKey | WDEIHSYLMKRAJI-BHDDXSALSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[[(2R,3R,4S)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-4-fluoro-N-propan-2-ylbenzamide (CHEBI:131097) is a azetidines (CHEBI:38777) |
| N-[[(2R,3R,4S)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-4-fluoro-N-propan-2-ylbenzamide (CHEBI:131097) is a benzenes (CHEBI:22712) |
| N-[[(2R,3R,4S)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-4-fluoro-N-propan-2-ylbenzamide (CHEBI:131097) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-42645 | LINCS |