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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 C15322
pubchemid 17396319
name 2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate
formula C22H32F2O2
structure
Isomeric_Smiles C1=CC=C(C(=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N)F
Cannoical_Smiles C1=CC=C(C(=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N)F
Gotenzyme_Smiles CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H]5[C@@H](C[C@]4(C)[C@H]3CC[C@]12C)C5(F)F