Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1N=C3OC(=CC3=CN1C2OC(C(O)C(O)C2O)CO)CCCCC |
InChI | InChI | 1.03 | InChI=1S/C17H24N2O7/c1-2-3-4-5-10-6-9-7-19(17(24)18-15(9)25-10)16-14(23)13(22)12(21)11(8-20)26-16/h6-7,11-14,16,20-23H,2-5,8H2,1H3/t11-,12-,13+,14-,16-/m1/s1 |
InChIKey | InChI | 1.03 | OPBPIQMYHFDOAO-XYFZXANASA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCCCCC1=CC2=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=O)N=C2O1 |
SMILES | CACTVS | 3.370 | CCCCCC1=CC2=CN([CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)C(=O)N=C2O1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCC1=CC2=CN(C(=O)N=C2O1)C3C(C(C(C(O3)CO)O)O)O |