Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NC1C(=N\O)\OC(CO)C(O)C1O)C |
SMILES_CANONICAL | CACTVS | 3.352 | CC(=O)N[C@@H]\1[C@@H](O)[C@H](O)[C@@H](CO)OC\1=N\O |
SMILES | CACTVS | 3.352 | CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)OC1=NO |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\O)CO)O)O |
SMILES | OpenEye OEToolkits | 1.6.1 | CC(=O)NC1C(C(C(OC1=NO)CO)O)O |
InChI | InChI | 1.03 | InChI=1S/C8H14N2O6/c1-3(12)9-5-7(14)6(13)4(2-11)16-8(5)10-15/h4-7,11,13-15H,2H2,1H3,(H,9,12)/b10-8-/t4-,5-,6-,7-/m1/s1 |
InChIKey | InChI | 1.03 | NJBKCLCEXIDHDR-OANDGCGGSA-N |