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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 C19442
pubchemid 124490114
name Medphalan
formula C13H18Cl2N2O2
structure
Isomeric_Smiles C1[C@@H](O[C@H](N1C2=CC=CC=C2)C3=CC=CC=C3)CCl
Cannoical_Smiles C1C(OC(N1C2=CC=CC=C2)C3=CC=CC=C3)CCl
Gotenzyme_Smiles N[C@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O