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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 C18357
pubchemid 124489031
name (R)-Hemiketal
formula C16H15O5SR
structure
Isomeric_Smiles CC1=CC(=C(S1)C(=O)N[C@@H](C)C(=O)NCC2=CC=CC=C2)OC
Cannoical_Smiles CC1=CC(=C(S1)C(=O)NC(C)C(=O)NCC2=CC=CC=C2)OC
Gotenzyme_Smiles *SC(=O)C[C@H]1CC2=C(C(=O)c3c(O)cccc3C2)C(C)(O)O1