| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)C(c1ccc(C(=[N@H])N)cc1)NC(=O)OCc2ccccc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=N)c1ccc(cc1)[C@H](NC(=O)OCc2ccccc2)[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | NC(=N)c1ccc(cc1)[CH](NC(=O)OCc2ccccc2)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(\c1ccc(cc1)[C@H](NC(=O)OCc2ccccc2)P(=O)(O)O)/N |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(c1ccc(cc1)C(NC(=O)OCc2ccccc2)P(=O)(O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C16H18N3O5P/c17-14(18)12-6-8-13(9-7-12)15(25(21,22)23)19-16(20)24-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H3,17,18)(H,19,20)(H2,21,22,23)/t15-/m1/s1 |
| InChIKey | InChI | 1.03 | FSNDLCSOLUMYRH-OAHLLOKOSA-N |
