Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1NCC=CN1C2OC(C(O)C2O)CO |
SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CCNC2=O |
SMILES | CACTVS | 3.341 | OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CCNC2=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1C=CN(C(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C1C=CN(C(=O)N1)C2C(C(C(O2)CO)O)O |
InChI | InChI | 1.03 | InChI=1S/C9H14N2O5/c12-4-5-6(13)7(14)8(16-5)11-3-1-2-10-9(11)15/h1,3,5-8,12-14H,2,4H2,(H,10,15)/t5-,6-,7-,8-/m1/s1 |
InChIKey | InChI | 1.03 | NVRAAJMSMZQKRW-WCTZXXKLSA-N |