Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | [O-][V]([O-])([O-])(O)OCC(N)C(=O)O |
SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CO[V](O)([O-])([O-])[O-])C(O)=O |
SMILES | CACTVS | 3.341 | N[CH](CO[V](O)([O-])([O-])[O-])C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H](C(=O)O)N)O[V](O)([O-])([O-])[O-] |
SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(=O)O)N)O[V](O)([O-])([O-])[O-] |
InChI | InChI | 1.03 | InChI=1S/C3H6NO3.H2O.3O.V/c4-2(1-5)3(6)7;;;;;/h2H,1,4H2,(H,6,7);1H2;;;;/q-1;;3*-1;+2/p-1/t2-;;;;;/m0...../s1 |
InChIKey | InChI | 1.03 | SYKYEBJDHHGBFL-PUAMRSTPSA-M |