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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 C08536
pubchemid 10729
name Pretazettine
formula C18H21NO5
structure
Isomeric_Smiles C1=NC2=C(NC1=O)NC(=NC2=O)N
Cannoical_Smiles C1=NC2=C(NC1=O)NC(=NC2=O)N
Gotenzyme_Smiles CO[C@@H]1C=C[C@@]23c4cc5c(cc4[C@H](O)O[C@H]2CN(C)[C@H]3C1)OCO5