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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 C11729
pubchemid 13894
name Hetacillin
formula C19H23N3O4S
structure
Isomeric_Smiles CCNC1=NC(=NC(=N1)S)NCC
Cannoical_Smiles CCNC1=NC(=NC(=N1)S)NCC
Gotenzyme_Smiles CC1(C)S[C@@H]2[C@H](N3C(=O)[C@@H](c4ccccc4)NC3(C)C)C(=O)N2[C@H]1C(=O)O