EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C31H36F3N3O6S |
| Net Charge | 0 |
| Average Mass | 635.705 |
| Monoisotopic Mass | 635.22769 |
| SMILES | COc1ccc(S(=O)(=O)Nc2cccc3c2O[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)[C@H](C)CN([C@H](C)CO)C3=O)cc1 |
| InChI | InChI=1S/C31H36F3N3O6S/c1-20-16-37(21(2)19-38)30(39)26-6-5-7-27(35-44(40,41)25-14-12-24(42-4)13-15-25)29(26)43-28(20)18-36(3)17-22-8-10-23(11-9-22)31(32,33)34/h5-15,20-21,28,35,38H,16-19H2,1-4H3/t20-,21-,28+/m1/s1 |
| InChIKey | UAUOFZFFKSPQKO-CJYOKPGZSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-methoxybenzenesulfonamide (CHEBI:127828) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-39384 | LINCS |