Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C6H9N3O2.4O.V/c7-5(6(10)11)1-4-2-8-3-9-4;;;;;/h2-3,5H,1,7H2,(H2,8,9,10,11);;;;;/q;;3*-1;+1/p-1/t5-;;;;;/m0...../s1 |
InChIKey | InChI | 1.06 | MEHUMAARUKETGW-HNJBGNBTSA-M |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1cn(cn1)[V]([O-])([O-])([O-])=O)C(O)=O |
SMILES | CACTVS | 3.385 | N[CH](Cc1cn(cn1)[V]([O-])([O-])([O-])=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(ncn1[V](=O)([O-])([O-])[O-])C[C@@H](C(=O)O)N |
SMILES | OpenEye OEToolkits | 2.0.7 | c1c(ncn1[V](=O)([O-])([O-])[O-])CC(C(=O)O)N |