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MTC 智能计算中心MTC Computing Center AI × 蛋白质与酶工程AI for Protein & Enzyme Engineering

化合物信息

名称 内容
kegg编号 C18720
pubchemid 124489394
name Diniconazole
formula C15H17Cl2N3O
structure
Isomeric_Smiles CC1=C(C(=NN1)C)S(=O)(=O)N2CC[C@H](C2)CNC
Cannoical_Smiles CC1=C(C(=NN1)C)S(=O)(=O)N2CCC(C2)CNC
Gotenzyme_Smiles CC(C)(C)C(O)/C(=C\c1ccc(Cl)cc1Cl)n1cncn1