| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CNC(=O)Cc1cc(OC)c(O)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C12H16N2O5/c1-19-10-4-7(2-3-9(10)15)5-11(16)14-6-8(13)12(17)18/h2-4,8,15H,5-6,13H2,1H3,(H,14,16)(H,17,18)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | MDFLYKRAUFGSSB-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1cc(CC(=O)NC[C@@H](N)C(O)=O)ccc1O |
| SMILES | CACTVS | 3.370 | COc1cc(CC(=O)NC[CH](N)C(O)=O)ccc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1cc(ccc1O)CC(=O)NC[C@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | COc1cc(ccc1O)CC(=O)NCC(C(=O)O)N |
