| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=S(=O)(c1ccc(OCC#CC)cc1)NC(C(=O)O)Cc3c2cc(ccc2nc3)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC#CCOc1ccc(cc1)[S](=O)(=O)N[C@H](Cc2c[nH]c3ccc(C)cc23)C(O)=O |
| SMILES | CACTVS | 3.341 | CC#CCOc1ccc(cc1)[S](=O)(=O)N[CH](Cc2c[nH]c3ccc(C)cc23)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](Cc2c[nH]c3c2cc(cc3)C)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC#CCOc1ccc(cc1)S(=O)(=O)NC(Cc2c[nH]c3c2cc(cc3)C)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C22H22N2O5S/c1-3-4-11-29-17-6-8-18(9-7-17)30(27,28)24-21(22(25)26)13-16-14-23-20-10-5-15(2)12-19(16)20/h5-10,12,14,21,23-24H,11,13H2,1-2H3,(H,25,26)/t21-/m1/s1 |
| InChIKey | InChI | 1.03 | SFVPXERGVLDWIS-OAQYLSRUSA-N |
