| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=S(=O)(Oc1ccc(cc1)CC(C(=O)O)NS(=O)(=O)c3c2cccc(N(C)C)c2ccc3)c5c4cccc(N(C)C)c4ccc5 |
| SMILES_CANONICAL | CACTVS | 3.341 | CN(C)c1cccc2c1cccc2[S](=O)(=O)N[C@@H](Cc3ccc(O[S](=O)(=O)c4cccc5c(cccc45)N(C)C)cc3)C(O)=O |
| SMILES | CACTVS | 3.341 | CN(C)c1cccc2c1cccc2[S](=O)(=O)N[CH](Cc3ccc(O[S](=O)(=O)c4cccc5c(cccc45)N(C)C)cc3)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](Cc3ccc(cc3)OS(=O)(=O)c4cccc5c4cccc5N(C)C)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN(C)c1cccc2c1cccc2S(=O)(=O)NC(Cc3ccc(cc3)OS(=O)(=O)c4cccc5c4cccc5N(C)C)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C33H33N3O7S2/c1-35(2)29-13-5-11-26-24(29)9-7-15-31(26)44(39,40)34-28(33(37)38)21-22-17-19-23(20-18-22)43-45(41,42)32-16-8-10-25-27(32)12-6-14-30(25)36(3)4/h5-20,28,34H,21H2,1-4H3,(H,37,38)/t28-/m0/s1 |
| InChIKey | InChI | 1.03 | LUBOPDUYHWABFG-NDEPHWFRSA-N |
