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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 C14523
pubchemid 17395523
name Diisopropyl adipate
formula C12H22O4
structure
Isomeric_Smiles CCOC(=O)C1=C(NC(=C1C)C(=O)CN2C=CC3=CC=CC=C3C2=O)C
Cannoical_Smiles CCOC(=O)C1=C(NC(=C1C)C(=O)CN2C=CC3=CC=CC=C3C2=O)C
Gotenzyme_Smiles CC(C)OC(=O)CCCCC(=O)OC(C)C