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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 C18721
pubchemid 124489395
name Dinobuton
formula C14H18N2O7
structure
Isomeric_Smiles CNC[C@@H]1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C#N
Cannoical_Smiles CNCC1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C#N
Gotenzyme_Smiles CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)OC(C)C