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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 C18452
pubchemid 124489126
name Benfuresate
formula C12H16O4S
structure
Isomeric_Smiles CC1=CC(=CC=C1)S(=O)(=O)N2CCC[C@@H]2CN
Cannoical_Smiles CC1=CC(=CC=C1)S(=O)(=O)N2CCCC2CN
Gotenzyme_Smiles CCS(=O)(=O)Oc1ccc2c(c1)C(C)(C)CO2