EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H26FN3O5S |
| Net Charge | 0 |
| Average Mass | 451.520 |
| Monoisotopic Mass | 451.15772 |
| SMILES | C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2cccc(F)c2)Oc2ncccc2C1=O |
| InChI | InChI=1S/C21H26FN3O5S/c1-14-11-25(15(2)13-26)21(27)18-8-5-9-23-20(18)30-19(14)12-24(3)31(28,29)17-7-4-6-16(22)10-17/h4-10,14-15,19,26H,11-13H2,1-3H3/t14-,15+,19-/m0/s1 |
| InChIKey | SJAFAYVALLBCEI-KHYOSLBOSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-fluoro-N-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide (CHEBI:113966) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-25398 | LINCS |