EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H34F3N3O5S |
| Net Charge | 0 |
| Average Mass | 557.635 |
| Monoisotopic Mass | 557.21713 |
| SMILES | C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NS(C)(=O)=O)cc2CC1=O |
| InChI | InChI=1S/C26H34F3N3O5S/c1-17-13-32(18(2)16-33)25(34)12-20-11-22(30-38(4,35)36)9-10-23(20)37-24(17)15-31(3)14-19-5-7-21(8-6-19)26(27,28)29/h5-11,17-18,24,30,33H,12-16H2,1-4H3/t17-,18+,24-/m0/s1 |
| InChIKey | YVPPWHBSXPUNSW-RHGYRFJNSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide (CHEBI:124684) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36126 | LINCS |