| PDB CCD ID: | HJR |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C20 H37 F3 N4 O8 S |
| InChI: | InChI=1S/C20H37F3N4O8S/c1-19(29)9-32-15(7-13(19)26-2)35-18-12(27-36(30,31)20(21,22)23)6-11(25)17(16(18)28)34-14-5-3-4-10(8-24)33-14/h10-18,26-29H,3-9,24-25H2,1-2H3/t10-,11+,12+,13-,14+,15+,16+,17-,18+,19-/m0/s1 |
| InChIKey: | KKFADIKIUKLKMG-OOFUMXBDSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC1(COC(CC1NC)OC2C(CC(C(C2O)OC3CCCC(O3)CN)N)NS(=O)(=O)C(F)(F)F)O | | CACTVS 3.385 | CN[C@H]1C[C@H](OC[C@]1(C)O)O[C@H]2[C@H](O)[C@@H](O[C@@H]3CCC[C@@H](CN)O3)[C@H](N)C[C@H]2N[S](=O)(=O)C(F)(F)F | | OpenEye OEToolkits 2.0.7 | C[C@@]1(CO[C@@H](C[C@@H]1NC)O[C@@H]2[C@@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3CCC[C@H](O3)CN)N)NS(=O)(=O)C(F)(F)F)O | | CACTVS 3.385 | CN[CH]1C[CH](OC[C]1(C)O)O[CH]2[CH](O)[CH](O[CH]3CCC[CH](CN)O3)[CH](N)C[CH]2N[S](=O)(=O)C(F)(F)F |
|
| Name: | N-[(1R,2R,3R,4S,5R)-4-[(2R,6S)-6-(aminomethyl)oxan-2-yl]oxy-5-azanyl-2-[(2R,4S,5R}-5-methyl-4-(methylamino)-5-oxidanyl-oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-1,1,1-tris(fluoranyl)methanesulfonamide |
zhanggroup.org