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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 C14127
pubchemid 7846941
name Acotiamide
formula C21H30N4O5S
structure
Isomeric_Smiles C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)CCC3=NC4=CC=CC=C4S3
Cannoical_Smiles C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)CCC3=NC4=CC=CC=C4S3
Gotenzyme_Smiles COc1cc(O)c(C(=O)Nc2nc(C(=O)NCCN(C(C)C)C(C)C)cs2)cc1OC