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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 C11593
pubchemid 13758
name E3040
formula C16H17N3OS
structure
Isomeric_Smiles CC1=CC(=C(C=C1OC(=O)C)C(C)C)OCC[NH+](C)C.[Cl-]
Cannoical_Smiles CC1=CC(=C(C=C1OC(=O)C)C(C)C)OCC[NH+](C)C.[Cl-]
Gotenzyme_Smiles CNc1nc2c(Cc3cccnc3)c(C)c(O)c(C)c2s1