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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 C12750
pubchemid 583139
name Bisibuthiamine
formula C32H46N8O6S2
structure
Isomeric_Smiles CC1=CC(=CC=C1)C2CCCCC2
Cannoical_Smiles CC1=CC(=CC=C1)C2CCCCC2
Gotenzyme_Smiles C/C(=C(\CCOC(=O)C(C)C)SS/C(CCOC(=O)C(C)C)=C(/C)N(C=O)Cc1cnc(C)nc1N)N(C=O)Cc1cnc(C)nc1N