Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1NC(O)C=CN1C2OC(C(O)C2O)CO |
SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=C[C@@H](O)NC2=O |
SMILES | CACTVS | 3.341 | OC[CH]1O[CH]([CH](O)[CH]1O)N2C=C[CH](O)NC2=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1=CN(C(=O)N[C@@H]1O)C2[C@@H]([C@@H]([C@H](O2)CO)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C1=CN(C(=O)NC1O)C2C(C(C(O2)CO)O)O |
InChI | InChI | 1.03 | InChI=1S/C9H14N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4-8,12-15H,3H2,(H,10,16)/t4-,5-,6-,7-,8-/m1/s1 |
InChIKey | InChI | 1.03 | LUOTYVSEHPPZEM-FMDGEEDCSA-N |