EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H32FN3O6S |
| Net Charge | 0 |
| Average Mass | 533.622 |
| Monoisotopic Mass | 533.19958 |
| SMILES | C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)C3CC3)ccc2O[C@H]1CN(C)S(=O)(=O)c1ccc(F)cc1 |
| InChI | InChI=1S/C26H32FN3O6S/c1-16-13-30(17(2)15-31)26(33)22-12-20(28-25(32)18-4-5-18)8-11-23(22)36-24(16)14-29(3)37(34,35)21-9-6-19(27)7-10-21/h6-12,16-18,24,31H,4-5,13-15H2,1-3H3,(H,28,32)/t16-,17-,24+/m1/s1 |
| InChIKey | AVAQDGZIUQEYTO-OJLQRUNKSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2R,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide (CHEBI:111632) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-23046 | LINCS |