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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 C18884
pubchemid 124489556
name Prodiamine
formula C13H17F3N4O4
structure
Isomeric_Smiles CN([C@@H]1CCNC1)S(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl
Cannoical_Smiles CN(C1CCNC1)S(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl
Gotenzyme_Smiles CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)c(N)c1[N+](=O)[O-]