Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NC1OC(C(O)C(O)C1O)CO)CO |
SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@@H](NC(=O)CO)[C@H](O)[C@@H](O)[C@@H]1O |
SMILES | CACTVS | 3.341 | OC[CH]1O[CH](NC(=O)CO)[CH](O)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)CO)O)O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C(C1C(C(C(C(O1)NC(=O)CO)O)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C8H15NO7/c10-1-3-5(13)6(14)7(15)8(16-3)9-4(12)2-11/h3,5-8,10-11,13-15H,1-2H2,(H,9,12)/t3-,5-,6+,7-,8-/m1/s1 |
InChIKey | InChI | 1.03 | DIGPTJYOVRRBRM-RHROMQPHSA-N |