Inchi | 1S/C22H33N5O9/c1-13(20(33)23-12-36-11-19(31)32)25-22(35)15(3)26-21(34)14(2)24-16(28)7-5-4-6-10-27-17(29)8-9-18(27)30/h8-9,13-15H,4-7,10-12H2,1-3H3,(H,23,33)(H,24,28)(H,25,35)(H,26,34)(H,31,32)/t13-,14-,15-/m0/s1 |
InChIKey | YJKZVKCTHXSDDV-KKUMJFAQSA-N |
SMILES | O=C(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C(C([H])=C([H])C1=O)=O)N([H])[C@@]([H])(C([H])([H])[H])C(N([H])[C@@]([H])(C([H])([H])[H])C(N([H])[C@]([H])(C(N([H])C([H])([H])OC([H])([H])C(=O)O[H])=O)C([H])([H])[H])=O)=O |
氢键供体数量 | 5 |
氢键受体数量 | 9 |
重原子数量 | 36 |
可旋转化学键数量 | 16 |
复杂度 | 871 |
疏水参数计算参考值(XlogP) | -1.4 |
拓扑分子极性表面积 | 200 |