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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 C12235
pubchemid 14380
name Assoanine
formula C17H17NO2
structure
Isomeric_Smiles C1CC2CCC1CN(C2)S(=O)(=O)C3=CC=C(C=C3)N
Cannoical_Smiles C1CC2CCC1CN(C2)S(=O)(=O)C3=CC=C(C=C3)N
Gotenzyme_Smiles COc1cc2c(cc1OC)-c1cccc3c1N(CC3)C2