| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(O)CCC1NC(Cc2c3ccccc3[NH]c21)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C15H16N2O4/c18-13(19)6-5-11-14-9(7-12(16-11)15(20)21)8-3-1-2-4-10(8)17-14/h1-4,11-12,16-17H,5-7H2,(H,18,19)(H,20,21)/t11-,12-/m0/s1 |
| InChIKey | InChI | 1.06 | PPKGNUKJFFAWHY-RYUDHWBXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CC[C@@H]1N[C@@H](Cc2c1[nH]c3ccccc23)C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)CC[CH]1N[CH](Cc2c1[nH]c3ccccc23)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)c3c([nH]2)[C@@H](N[C@@H](C3)C(=O)O)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)c3c([nH]2)C(NC(C3)C(=O)O)CCC(=O)O |
