| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | N[C@@H](CO)C1=N\\C(=C/c2c[nH]c3ccccc23)C(=O)N1CC(O)=O |
| SMILES | CACTVS | 3.352 | N[CH](CO)C1=NC(=Cc2c[nH]c3ccccc23)C(=O)N1CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1ccc2c(c1)c(c[nH]2)\\C=C/3\\C(=O)N(C(=N3)[C@H](CO)N)CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1ccc2c(c1)c(c[nH]2)C=C3C(=O)N(C(=N3)C(CO)N)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C16H16N4O4/c17-11(8-21)15-19-13(16(24)20(15)7-14(22)23)5-9-6-18-12-4-2-1-3-10(9)12/h1-6,11,18,21H,7-8,17H2,(H,22,23)/b13-5-/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | JQODGFVDKNHIFR-LEBPBNDJSA-N |
