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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 C12829
pubchemid 583218
name Bromisovalum
formula C6H11BrN2O2
structure
Isomeric_Smiles COC(C(=O)OC1=C(C=CC(=C1)OC2=C(C=CC(=C2)C(F)(F)F)Cl)[N+](=O)[O-])(C(F)(F)F)F
Cannoical_Smiles COC(C(=O)OC1=C(C=CC(=C1)OC2=C(C=CC(=C2)C(F)(F)F)Cl)[N+](=O)[O-])(C(F)(F)F)F
Gotenzyme_Smiles CC(C)C(Br)C(=O)NC(N)=O