| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c1c(cccc1)n2c(CC(N)C(O)=O)cc(C(=O)O)n2 |
| InChI | InChI | 1.03 | InChI=1S/C13H13N3O4/c14-10(12(17)18)6-9-7-11(13(19)20)15-16(9)8-4-2-1-3-5-8/h1-5,7,10H,6,14H2,(H,17,18)(H,19,20)/t10-/m1/s1 |
| InChIKey | InChI | 1.03 | MAXWODHGWOEWBN-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H](Cc1cc(nn1c2ccccc2)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1cc(nn1c2ccccc2)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)n2c(cc(n2)C(=O)O)C[C@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)n2c(cc(n2)C(=O)O)CC(C(=O)O)N |
