Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1N(C=C(C(=O)N1)C2OC(CO)C(O)C2)C |
SMILES_CANONICAL | CACTVS | 3.341 | CN1C=C([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O |
SMILES | CACTVS | 3.341 | CN1C=C([CH]2C[CH](O)[CH](CO)O2)C(=O)NC1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN1C=C(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CN1C=C(C(=O)NC1=O)C2CC(C(O2)CO)O |
InChI | InChI | 1.03 | InChI=1S/C10H14N2O5/c1-12-3-5(9(15)11-10(12)16)7-2-6(14)8(4-13)17-7/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1 |
InChIKey | InChI | 1.03 | AMDJRICBYOAHBZ-XLPZGREQSA-N |