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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 C19134
pubchemid 124489806
name Heptopargil
formula C13H19NO
structure
Isomeric_Smiles CC(C)(C)OC(=O)[C@@H]([C@@H](CC1=CC(=C(C=C1)F)F)N)C(=O)O
Cannoical_Smiles CC(C)(C)OC(=O)C(C(CC1=CC(=C(C=C1)F)F)N)C(=O)O
Gotenzyme_Smiles C#CCO/N=C1\CC2CCC1(C)C2(C)C