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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 C17933
pubchemid 96024154
name Thioperamide
formula C15H24N4S
structure
Isomeric_Smiles CC1=CC2=C(C=C1C)[C@@H](NCC2)CNC(=O)C3=CC=CC=C3
Cannoical_Smiles CC1=CC2=C(C=C1C)C(NCC2)CNC(=O)C3=CC=CC=C3
Gotenzyme_Smiles S=C(NC1CCCCC1)N1CCC(c2c[nH]cn2)CC1