Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | [O-]C(=O)CC(/[NH+]=C(/C(=O)N)C)C(=O)N |
SMILES_CANONICAL | CACTVS | 3.341 | CC(=[NH+][C@@H](CC([O-])=O)C(N)=O)C(N)=O |
SMILES | CACTVS | 3.341 | CC(=[NH+][CH](CC([O-])=O)C(N)=O)C(N)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=[NH+][C@@H](CC(=O)[O-])C(=O)N)C(=O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(=[NH+]C(CC(=O)[O-])C(=O)N)C(=O)N |
InChI | InChI | 1.03 | InChI=1S/C7H11N3O4/c1-3(6(8)13)10-4(7(9)14)2-5(11)12/h4H,2H2,1H3,(H2,8,13)(H2,9,14)(H,11,12)/b10-3+/t4-/m0/s1 |
InChIKey | InChI | 1.03 | YZKQNDLOQTXCHV-BNTYAIEMSA-N |