種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | N(CCOC)C(=O)C(c1cccnc1)N(c2ccc(cc2)C(C)(C)C)C(=O)CC |
InChI | InChI | 1.03 | InChI=1S/C23H31N3O3/c1-6-20(27)26(19-11-9-18(10-12-19)23(2,3)4)21(17-8-7-13-24-16-17)22(28)25-14-15-29-5/h7-13,16,21H,6,14-15H2,1-5H3,(H,25,28)/t21-/m1/s1 |
InChIKey | InChI | 1.03 | VGALAKWGAVFSCK-OAQYLSRUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N([C@@H](C(=O)NCCOC)c1cccnc1)c2ccc(cc2)C(C)(C)C |
SMILES | CACTVS | 3.385 | CCC(=O)N([CH](C(=O)NCCOC)c1cccnc1)c2ccc(cc2)C(C)(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccnc2)C(=O)NCCOC |
SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)N(c1ccc(cc1)C(C)(C)C)C(c2cccnc2)C(=O)NCCOC |