EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C29H32F3N3O6S |
| Net Charge | 0 |
| Average Mass | 607.651 |
| Monoisotopic Mass | 607.19639 |
| SMILES | COc1cccc(S(=O)(=O)N(C)C[C@@H]2Oc3ncc(-c4cccc(C(F)(F)F)c4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)c1 |
| InChI | InChI=1S/C29H32F3N3O6S/c1-18-15-35(19(2)17-36)28(37)25-12-21(20-7-5-8-22(11-20)29(30,31)32)14-33-27(25)41-26(18)16-34(3)42(38,39)24-10-6-9-23(13-24)40-4/h5-14,18-19,26,36H,15-17H2,1-4H3/t18-,19+,26-/m0/s1 |
| InChIKey | FBFURHXPUDEEJT-ANSQWYIGSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide (CHEBI:95663) is a phenylpyridine (CHEBI:38193) |
| Manual Xrefs | Databases |
|---|---|
| LSM-7042 | LINCS |