| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=S(=O)(Oc1ccc(cc1)[N+]([O-])=O)CCC(NC(=O)C(NC(=O)OCc2ccccc2)Cc3ccccc3)CCc4ccccc4 |
| SMILES_CANONICAL | CACTVS | 3.341 | [O-][N+](=O)c1ccc(O[S](=O)(=O)CC[C@H](CCc2ccccc2)NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc4ccccc4)cc1 |
| SMILES | CACTVS | 3.341 | [O-][N+](=O)c1ccc(O[S](=O)(=O)CC[CH](CCc2ccccc2)NC(=O)[CH](Cc3ccccc3)NC(=O)OCc4ccccc4)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CC[C@@H](CCS(=O)(=O)Oc2ccc(cc2)[N+](=O)[O-])NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc4ccccc4 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CCC(CCS(=O)(=O)Oc2ccc(cc2)[N+](=O)[O-])NC(=O)C(Cc3ccccc3)NC(=O)OCc4ccccc4 |
| InChI | InChI | 1.03 | InChI=1S/C34H35N3O8S/c38-33(32(24-27-12-6-2-7-13-27)36-34(39)44-25-28-14-8-3-9-15-28)35-29(17-16-26-10-4-1-5-11-26)22-23-46(42,43)45-31-20-18-30(19-21-31)37(40)41/h1-15,18-21,29,32H,16-17,22-25H2,(H,35,38)(H,36,39)/t29-,32-/m0/s1 |
| InChIKey | InChI | 1.03 | WABCRPSWXFHXDH-NYDCQLBNSA-N |
