EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C31H35ClF3N3O5S |
| Net Charge | 0 |
| Average Mass | 654.151 |
| Monoisotopic Mass | 653.19380 |
| SMILES | C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O |
| InChI | InChI=1S/C31H35ClF3N3O5S/c1-20-16-38(21(2)19-39)30(40)15-23-14-26(36-44(41,42)27-11-8-25(32)9-12-27)10-13-28(23)43-29(20)18-37(3)17-22-4-6-24(7-5-22)31(33,34)35/h4-14,20-21,29,36,39H,15-19H2,1-3H3/t20-,21+,29+/m0/s1 |
| InChIKey | NNHYDAJISGOSNF-BNJCFXFUSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-chloro-N-[(2S,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]benzenesulfonamide (CHEBI:129241) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-40792 | LINCS |