MDL | MFCD31692276 |
---|---|
InChIKey | PRWXVVSUBWJYMX-ZHOQCBSZSA-N |
Inchi | 1S/C28H52N10O9.C2HF3O2/c1-6-13(3)21(37-19(41)12-34-23(42)17(11-18(29)40)36-24(43)20(30)15(5)39)26(45)38-22(14(4)7-2)25(44)35-16(27(46)47)9-8-10-33-28(31)32;3-2(4,5)1(6)7/h13-17,20-22,39H,6-12,30H2,1-5H3,(H2,29,40)(H,34,42)(H,35,44)(H,36,43)(H,37,41)(H,38,45)(H,46,47)(H4,31,32,33);(H,6,7)/t13-,14-,15+,16-,17-,20-,21-,22-;/m0./s1 |
SMILES | FC(C(=O)O[H])(F)F.O=C([C@]([H])([C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])N([H])C(C([H])([H])N([H])C([C@]([H])(C([H])([H])C(N([H])[H])=O)N([H])C([C@]([H])([C@@]([H])(C([H])([H])[H])O[H])N([H])[H])=O)=O)=O)N([H])[C@]([H])(C(N([H])[C@]([H])(C(=O)O[H])C([H])([H])C([H])([H])C([H])([H])/N=C(\N([H])[H])/N([H])[H])=O)[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H] |
氢键供体数量 | 12 |
---|---|
氢键受体数量 | 16 |
可旋转化学键数量 | 22 |
重原子数量 | 54 |
复杂度 | 1220 |
拓扑分子极性表面积 | 374 |