EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C28H40FN3O6S |
| Net Charge | 0 |
| Average Mass | 565.708 |
| Monoisotopic Mass | 565.26219 |
| SMILES | CNC[C@H]1OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C |
| InChI | InChI=1S/C28H40FN3O6S/c1-19-17-32(20(2)18-33)28(34)25-15-23(31-39(35,36)24-11-8-22(29)9-12-24)10-13-26(25)38-21(3)7-5-6-14-37-27(19)16-30-4/h8-13,15,19-21,27,30-31,33H,5-7,14,16-18H2,1-4H3/t19-,20+,21-,27-/m1/s1 |
| InChIKey | OPIQAKQROYPQNZ-FGCFSOHPSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-fluoro-N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide (CHEBI:110860) is a azamacrocycle (CHEBI:52898) |
| 4-fluoro-N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide (CHEBI:110860) is a lactam (CHEBI:24995) |
| Manual Xrefs | Databases |
|---|---|
| LSM-22304 | LINCS |