種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Fc1cc(cc(F)c1F)c1ccc(cc1)C(NC(=O)CNc1ccccc1)C(=O)NO |
InChI | InChI | 1.06 | InChI=1S/C22H18F3N3O3/c23-17-10-15(11-18(24)20(17)25)13-6-8-14(9-7-13)21(22(30)28-31)27-19(29)12-26-16-4-2-1-3-5-16/h1-11,21,26,31H,12H2,(H,27,29)(H,28,30)/t21-/m1/s1 |
InChIKey | InChI | 1.06 | NAFBHKRYHPXZDP-OAQYLSRUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | ONC(=O)[C@H](NC(=O)CNc1ccccc1)c2ccc(cc2)c3cc(F)c(F)c(F)c3 |
SMILES | CACTVS | 3.385 | ONC(=O)[CH](NC(=O)CNc1ccccc1)c2ccc(cc2)c3cc(F)c(F)c(F)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)NCC(=O)N[C@H](c2ccc(cc2)c3cc(c(c(c3)F)F)F)C(=O)NO |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)NCC(=O)NC(c2ccc(cc2)c3cc(c(c(c3)F)F)F)C(=O)NO |