Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(NC(=O)OCc1ccccc1)CC(=O)O |
SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(O)=O |
SMILES | CACTVS | 3.370 | OC(=O)C[CH](NC(=O)OCc1ccccc1)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)COC(=O)N[C@@H](CC(=O)O)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)COC(=O)NC(CC(=O)O)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C12H13NO6/c14-10(15)6-9(11(16)17)13-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,14,15)(H,16,17)/t9-/m0/s1 |
InChIKey | InChI | 1.03 | XYXYXSKSTZAEJW-VIFPVBQESA-N |