| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(O)CN(N)C(=O)CC(O)C(=O)NCc1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.370 | NN(CC(O)=O)C(=O)C[C@H](O)C(=O)NCc1ccccc1 |
| SMILES | CACTVS | 3.370 | NN(CC(O)=O)C(=O)C[CH](O)C(=O)NCc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)CNC(=O)[C@H](CC(=O)N(CC(=O)O)N)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)CNC(=O)C(CC(=O)N(CC(=O)O)N)O |
| InChI | InChI | 1.03 | InChI=1S/C13H17N3O5/c14-16(8-12(19)20)11(18)6-10(17)13(21)15-7-9-4-2-1-3-5-9/h1-5,10,17H,6-8,14H2,(H,15,21)(H,19,20)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | ROPIKOKIAWFVJE-JTQLQIEISA-N |
