| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C25H31N5O2/c1-24(2,3)18-9-11-19(12-10-18)30(23(32)20-15-27-16-28-20)21(17-8-7-13-26-14-17)22(31)29-25(4,5)6/h7-16,21H,1-6H3,(H,27,28)(H,29,31)/t21-/m1/s1 |
| InChIKey | InChI | 1.03 | AJXIAISTEXNTHM-OAQYLSRUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)NC(=O)[C@H](N(c1ccc(cc1)C(C)(C)C)C(=O)c2[nH]cnc2)c3cccnc3 |
| SMILES | CACTVS | 3.385 | CC(C)(C)NC(=O)[CH](N(c1ccc(cc1)C(C)(C)C)C(=O)c2[nH]cnc2)c3cccnc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1ccc(cc1)N([C@H](c2cccnc2)C(=O)NC(C)(C)C)C(=O)c3cnc[nH]3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)c1ccc(cc1)N(C(c2cccnc2)C(=O)NC(C)(C)C)C(=O)c3cnc[nH]3 |
