能提供下达托霉素 (达妥霉素、达帕托霉素)的SMILES文件吗?
【已解决】达托霉素 (达妥霉素、达帕托霉素)的SMILES文件提供下,谢谢!!!
最佳答案
回答者:网友
O1C(C([H])(C([H])([H])C(C2=C([H])C([H])=C([H])C([H])=C2N([H])[H])=O)N([H])C([C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C(=O)O[H])N([H])C([C@@]([H])(C([H])([H])O[H])N([H])C(C([H])([H])N([H])C(C([H])(C([H])([H])C(=O)O[H])N([H])C([C@@]([H])(C([H])([H])[H])N([H])C([C@]([H])(C([H])([H])C(=O)O[H])N([H])C([C@]([H])(C([H])([H])C([H])([H])C([H])([H])N([H])[H])N([H])C(C([H])([H])N([H])C(C([H])([C@@]1([H])C([H])([H])[H])N([H])C([C@]([H])(C([H])([H])C(=O)O[H])N([H])C([C@]([H])(C([H])([H])C(N([H])[H])=O)N([H])C([C@]([H])(C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12)N([H])C(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O