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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 C14544
pubchemid 17395544
name (S)-5-Deoxyindenestrol
formula C18H18O
structure
Isomeric_Smiles CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)[C@@H]3CCCN3C4=NS(=O)(=O)C5=CC=CC=C54
Cannoical_Smiles CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3CCCN3C4=NS(=O)(=O)C5=CC=CC=C54
Gotenzyme_Smiles CCC1=C(c2ccc(O)cc2)[C@@H](C)c2ccccc21