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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 C15205
pubchemid 17396202
name Diisobutyl phthalate
formula C16H22O4
structure
Isomeric_Smiles C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CS3)Cl
Cannoical_Smiles C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=CS3)Cl
Gotenzyme_Smiles CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C