Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | S=C(O)c1nc(oc1O)C(N)C(OS(=O)(=O)O)C |
SMILES_CANONICAL | CACTVS | 3.370 | C[C@@H](O[S](O)(=O)=O)[C@H](N)c1oc(O)c(n1)C(O)=S |
SMILES | CACTVS | 3.370 | C[CH](O[S](O)(=O)=O)[CH](N)c1oc(O)c(n1)C(O)=S |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[C@H]([C@@H](c1nc(c(o1)O)C(=S)O)N)OS(=O)(=O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(C(c1nc(c(o1)O)C(=S)O)N)OS(=O)(=O)O |
InChI | InChI | 1.03 | InChI=1S/C7H10N2O7S2/c1-2(16-18(12,13)14)3(8)5-9-4(7(11)17)6(10)15-5/h2-3,10H,8H2,1H3,(H,11,17)(H,12,13,14)/t2-,3+/m1/s1 |
InChIKey | InChI | 1.03 | ARRKNNQNBGDPEN-GBXIJSLDSA-N |