| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N1C(=O)CC(C1=O)N)Cc2ncnc2 |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@H]1CC(=O)N([C@@H](Cc2[nH]cnc2)C(O)=O)C1=O |
| SMILES | CACTVS | 3.370 | N[CH]1CC(=O)N([CH](Cc2[nH]cnc2)C(O)=O)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1c([nH]cn1)C[C@@H](C(=O)O)N2C(=O)C[C@@H](C2=O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1c([nH]cn1)CC(C(=O)O)N2C(=O)CC(C2=O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H12N4O4/c11-6-2-8(15)14(9(6)16)7(10(17)18)1-5-3-12-4-13-5/h3-4,6-7H,1-2,11H2,(H,12,13)(H,17,18)/t6-,7-/m0/s1 |
| InChIKey | InChI | 1.03 | AHZGEUMSNGPQLH-BQBZGAKWSA-N |
