Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | FC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2O)CO |
SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=C(F)C(=O)NC2=O |
SMILES | CACTVS | 3.341 | OC[CH]1O[CH]([CH](O)[CH]1O)N2C=C(F)C(=O)NC2=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)F |
SMILES | OpenEye OEToolkits | 1.5.0 | C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)F |
InChI | InChI | 1.03 | InChI=1S/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1 |
InChIKey | InChI | 1.03 | FHIDNBAQOFJWCA-UAKXSSHOSA-N |