| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(ccc(cc1)C(NC(C(=O)O)CCC(O)=O)=O)N |
| InChI | InChI | 1.03 | InChI=1S/C12H14N2O5/c13-8-3-1-7(2-4-8)11(17)14-9(12(18)19)5-6-10(15)16/h1-4,9H,5-6,13H2,(H,14,17)(H,15,16)(H,18,19)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | GADGMZDHLQLZRI-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | Nc1ccc(cc1)C(=O)N[CH](CCC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)N |
