EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H23Cl2FN2O5S |
| Net Charge | 0 |
| Average Mass | 505.395 |
| Monoisotopic Mass | 504.06888 |
| SMILES | O=C(C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2)[C@H](CO)O1)NCc1ccc(Cl)c(Cl)c1 |
| InChI | InChI=1S/C21H23Cl2FN2O5S/c22-17-7-1-13(9-18(17)23)11-25-21(28)10-15-4-8-19(20(12-27)31-15)26-32(29,30)16-5-2-14(24)3-6-16/h1-3,5-7,9,15,19-20,26-27H,4,8,10-12H2,(H,25,28)/t15-,19+,20-/m0/s1 |
| InChIKey | IBEFNTNFDPOULD-BEVDRBHNSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(3,4-dichlorophenyl)methyl]-2-[(2S,5R,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetamide (CHEBI:98211) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-9590 | LINCS |