種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C21H24F3N5O5S/c1-9(2)29-18-14(16(30)27(5)19(29)32)13(17(31)28-7-20(4,33)8-34-28)12(35-18)6-11-10(3)25-26-15(11)21(22,23)24/h9,33H,6-8H2,1-5H3,(H,25,26)/t20-/m1/s1 |
InChIKey | InChI | 1.03 | PRNXOFBDXNTIFG-HXUWFJFHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)N1C(=O)N(C)C(=O)c2c1sc(Cc3c(C)[nH]nc3C(F)(F)F)c2C(=O)N4C[C@@](C)(O)CO4 |
SMILES | CACTVS | 3.385 | CC(C)N1C(=O)N(C)C(=O)c2c1sc(Cc3c(C)[nH]nc3C(F)(F)F)c2C(=O)N4C[C](C)(O)CO4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c(n[nH]1)C(F)(F)F)Cc2c(c3c(s2)N(C(=O)N(C3=O)C)C(C)C)C(=O)N4C[C@@](CO4)(C)O |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c(n[nH]1)C(F)(F)F)Cc2c(c3c(s2)N(C(=O)N(C3=O)C)C(C)C)C(=O)N4CC(CO4)(C)O |