種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c3cc2C(C(=O)Nc1cc(c(cc1)C(C)(C)C)F)N(CCc2cc3OC)C(CC4=CC(=O)NO4)=O |
InChI | InChI | 1.03 | InChI=1S/C26H28FN3O5/c1-26(2,3)20-8-5-16(12-21(20)27)28-25(33)24-19-7-6-17(34-4)11-15(19)9-10-30(24)23(32)14-18-13-22(31)29-35-18/h5-8,11-13,24H,9-10,14H2,1-4H3,(H,28,33)(H,29,31)/t24-/m1/s1 |
InChIKey | InChI | 1.03 | GSZJCGDGBYIJKI-XMMPIXPASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2[C@@H](N(CCc2c1)C(=O)CC3=CC(=O)NO3)C(=O)Nc4ccc(c(F)c4)C(C)(C)C |
SMILES | CACTVS | 3.385 | COc1ccc2[CH](N(CCc2c1)C(=O)CC3=CC(=O)NO3)C(=O)Nc4ccc(c(F)c4)C(C)(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)(C)c1ccc(cc1F)NC(=O)[C@H]2c3ccc(cc3CCN2C(=O)CC4=CC(=O)NO4)OC |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(C)c1ccc(cc1F)NC(=O)C2c3ccc(cc3CCN2C(=O)CC4=CC(=O)NO4)OC |