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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 C20290
pubchemid 163312030
name N-Acetoxy-IQ
formula C13H12N4O2
structure
Isomeric_Smiles CN(C1=CC=C(C=C1)C(=O)N2C[C@H]3[C@H](C2)OC4=CC(=C(CNC(=O)COC5=CC(=CC(=C5)C(=O)N3)OC)C=C4)OC)S(=O)(=O)C
Cannoical_Smiles CN(C1=CC=C(C=C1)C(=O)N2CC3C(C2)OC4=CC(=C(CNC(=O)COC5=CC(=CC(=C5)C(=O)N3)OC)C=C4)OC)S(=O)(=O)C
Gotenzyme_Smiles CC(=O)ONc1nc2c3cccnc3ccc2n1C