| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(NC1CC1)Nc1ccc(cc1)C(=O)NCc1c2ccccc2[NH]c1C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C21H20N4O4/c26-19(12-5-7-13(8-6-12)23-21(29)24-14-9-10-14)22-11-16-15-3-1-2-4-17(15)25-18(16)20(27)28/h1-8,14,25H,9-11H2,(H,22,26)(H,27,28)(H2,23,24,29) |
| InChIKey | InChI | 1.03 | IKFUIKKYPURVDW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1[nH]c2ccccc2c1CNC(=O)c3ccc(NC(=O)NC4CC4)cc3 |
| SMILES | CACTVS | 3.385 | OC(=O)c1[nH]c2ccccc2c1CNC(=O)c3ccc(NC(=O)NC4CC4)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c([nH]2)C(=O)O)CNC(=O)c3ccc(cc3)NC(=O)NC4CC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c([nH]2)C(=O)O)CNC(=O)c3ccc(cc3)NC(=O)NC4CC4 |
