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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 C14575
pubchemid 17395575
name Di-n-heptyl phthalate
formula C22H34O4
structure
Isomeric_Smiles CCC1=CC2=C(S1)N=CN=C2SC(C)C(=O)N3CCOCC3
Cannoical_Smiles CCC1=CC2=C(S1)N=CN=C2SC(C)C(=O)N3CCOCC3
Gotenzyme_Smiles CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC