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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 C07753
pubchemid 9955
name Ibutilide
formula C20H36N2O3S
structure
Isomeric_Smiles C1=C2C(=NC(=N1)N)N=CN2
Cannoical_Smiles C1=C2C(=NC(=N1)N)N=CN2
Gotenzyme_Smiles CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1