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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 C14917
pubchemid 17395915
name 9-Thiocyanato-androst-4-ene-3,11,17-trione
formula C20H23NO3S
structure
Isomeric_Smiles CC1=CC(=C(C=C1NC(=O)C2=NOC(=C2)C3=CC=CC=C3)OC)OC
Cannoical_Smiles CC1=CC(=C(C=C1NC(=O)C2=NOC(=C2)C3=CC=CC=C3)OC)OC
Gotenzyme_Smiles C[C@]12CC(=O)[C@@]3(SC#N)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O