能提供下甲磺酸沙奎拉韦的SMILES文件吗?
【已解决】甲磺酸沙奎拉韦的SMILES文件提供下,谢谢!!!
最佳答案
回答者:网友
S(C([H])([H])[H])(=O)(=O)O[H].O=C([C@]1([H])C([H])([H])[C@]2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]2([H])C([H])([H])N1C([H])([H])[C@]([H])([C@]([H])(C([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H])N([H])C([C@]([H])(C([H])([H])C(N([H])[H])=O)N([H])C(C1C([H])=C([H])C2=C([H])C([H])=C([H])C([H])=C2N=1)=O)=O)O[H])N([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]