Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)CN(N)C(=O)CC(O)C(=O)OCc1ccccc1 |
SMILES_CANONICAL | CACTVS | 3.341 | NN(CC(O)=O)C(=O)C[C@H](O)C(=O)OCc1ccccc1 |
SMILES | CACTVS | 3.341 | NN(CC(O)=O)C(=O)C[CH](O)C(=O)OCc1ccccc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)COC(=O)[C@H](CC(=O)N(CC(=O)O)N)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)COC(=O)C(CC(=O)N(CC(=O)O)N)O |
InChI | InChI | 1.03 | InChI=1S/C13H16N2O6/c14-15(7-12(18)19)11(17)6-10(16)13(20)21-8-9-4-2-1-3-5-9/h1-5,10,16H,6-8,14H2,(H,18,19)/t10-/m0/s1 |
InChIKey | InChI | 1.03 | VKMHPJLHWKEYJZ-JTQLQIEISA-N |