| PDB CCD ID: | A1JBO |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C24 H34 F3 N O14 |
| InChI: | InChI=1S/C24H34F3NO14/c25-24(26,27)23(38)28-10-3-1-9(2-4-10)5-6-39-21-17(37)20(16(36)19(40-21)12(32)8-30)42-22-15(35)13(33)14(34)18(41-22)11(31)7-29/h1-4,11-22,29-37H,5-8H2,(H,28,38)/t11-,12-,13-,14-,15-,16+,17-,18+,19+,20-,21-,22+/m0/s1 |
| InChIKey: | IKWNTJVXRGBHBU-KSXAYDKWSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1cc(ccc1CCOC2C(C(C(C(O2)C(CO)O)O)OC3C(C(C(C(O3)C(CO)O)O)O)O)O)NC(=O)C(F)(F)F | | OpenEye OEToolkits 2.0.7 | c1cc(ccc1CCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)[C@H](CO)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)[C@H](CO)O)O)O)O)O)NC(=O)C(F)(F)F | | CACTVS 3.385 | OC[CH](O)[CH]1O[CH](O[CH]2[CH](O)[CH](OCCc3ccc(NC(=O)C(F)(F)F)cc3)O[CH]([CH](O)CO)[CH]2O)[CH](O)[CH](O)[CH]1O | | CACTVS 3.385 | OC[C@H](O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](OCCc3ccc(NC(=O)C(F)(F)F)cc3)O[C@H]([C@@H](O)CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O |
|
| Name: | ~{N}-[4-[2-[(2~{S},3~{S},4~{S},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxyethyl]phenyl]-2,2,2-tris(fluoranyl)ethanamide |
