| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)\\C=[N+]=[N-])Cc2ccc(OC(C)(C)C)cc2)Cc3ccccc3 |
| InChI | InChI | 1.03 | InChI=1S/C31H34N4O5/c1-31(2,3)40-25-16-14-23(15-17-25)18-26(28(36)20-33-32)34-29(37)27(19-22-10-6-4-7-11-22)35-30(38)39-21-24-12-8-5-9-13-24/h4-17,20,26-27H,18-19,21H2,1-3H3,(H,34,37)(H,35,38)/t26-,27-/m0/s1 |
| InChIKey | InChI | 1.03 | CGONKNHDBTYOOC-SVBPBHIXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)Oc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3)C(=O)C=[N+]=[N-])cc1 |
| SMILES | CACTVS | 3.385 | CC(C)(C)Oc1ccc(C[CH](NC(=O)[CH](Cc2ccccc2)NC(=O)OCc3ccccc3)C(=O)C=[N+]=[N-])cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | CC(C)(C)Oc1ccc(cc1)C[C@@H](C(=O)C=[N+]=[N-])NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3 |
| SMILES | OpenEye OEToolkits | 1.7.5 | CC(C)(C)Oc1ccc(cc1)CC(C(=O)C=[N+]=[N-])NC(=O)C(Cc2ccccc2)NC(=O)OCc3ccccc3 |
