種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C24H33N3O3/c1-16(28)22(30)27(19-12-10-18(11-13-19)23(2,3)4)20(17-9-8-14-25-15-17)21(29)26-24(5,6)7/h8-16,20,28H,1-7H3,(H,26,29)/t16-,20-/m1/s1 |
InChIKey | InChI | 1.03 | VNQJAMKKDIWKCG-OXQOHEQNSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](O)C(=O)N([C@@H](C(=O)NC(C)(C)C)c1cccnc1)c2ccc(cc2)C(C)(C)C |
SMILES | CACTVS | 3.385 | C[CH](O)C(=O)N([CH](C(=O)NC(C)(C)C)c1cccnc1)c2ccc(cc2)C(C)(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](C(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NC(C)(C)C)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(=O)N(c1ccc(cc1)C(C)(C)C)C(c2cccnc2)C(=O)NC(C)(C)C)O |