Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C12H15N3O6/c16-10-13(1-7-4-19-7)11(17)15(3-9-6-21-9)12(18)14(10)2-8-5-20-8/h7-9H,1-6H2/t7-,8-,9-/m0/s1 |
InChIKey | InChI | 1.03 | OUPZKGBUJRBPGC-CIUDSAMLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C1N(C[C@H]2CO2)C(=O)N(C[C@H]3CO3)C(=O)N1C[C@H]4CO4 |
SMILES | CACTVS | 3.385 | O=C1N(C[CH]2CO2)C(=O)N(C[CH]3CO3)C(=O)N1C[CH]4CO4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@@H](O1)CN2C(=O)N(C(=O)N(C2=O)C[C@H]3CO3)C[C@H]4CO4 |
SMILES | OpenEye OEToolkits | 2.0.7 | C1C(O1)CN2C(=O)N(C(=O)N(C2=O)CC3CO3)CC4CO4 |