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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 C14647
pubchemid 17395647
name Braxoron
formula C21H27BrO3
structure
Isomeric_Smiles CC1=C(SC=C1)C(=O)OCC(=O)C2=CNC(=C2)C(=O)N3CCCC3
Cannoical_Smiles CC1=C(SC=C1)C(=O)OCC(=O)C2=CNC(=C2)C(=O)N3CCCC3
Gotenzyme_Smiles CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(Br)C(=O)C[C@]12C