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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 C06980
pubchemid 9194
name Esmolol
formula C16H25NO4
structure
Isomeric_Smiles C1=CC=C2C(=C1)N=CC3=NC=CN23
Cannoical_Smiles C1=CC=C2C(=C1)N=CC3=NC=CN23
Gotenzyme_Smiles COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1