Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1C=CN(C(=O)C1)C2OC(C(O)C2O)CO |
SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=O)CC2=O |
SMILES | CACTVS | 3.341 | OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)CC2=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C1C(=O)C=CN(C1=O)C2C(C(C(O2)CO)O)O |
InChI | InChI | 1.03 | InChI=1S/C10H13NO6/c12-4-6-8(15)9(16)10(17-6)11-2-1-5(13)3-7(11)14/h1-2,6,8-10,12,15-16H,3-4H2/t6-,8-,9-,10-/m1/s1 |
InChIKey | InChI | 1.03 | WIRVQQCUKDPURA-PEBGCTIMSA-N |