Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1(O)C(CO)C(C(C(C1O)O)O)N |
InChI | InChI | 1.03 | InChI=1S/C7H15NO5/c8-3-2(1-9)4(10)6(12)7(13)5(3)11/h2-7,9-13H,1,8H2/t2-,3-,4+,5+,6-,7-/m0/s1 |
InChIKey | InChI | 1.03 | SWVTZDDSAFUTKS-DBTJYCMPSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |
SMILES | CACTVS | 3.385 | N[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1CO |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C([C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)N)O |
SMILES | OpenEye OEToolkits | 2.0.4 | C(C1C(C(C(C(C1O)O)O)O)N)O |