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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 C14799
pubchemid 17395797
name (1R,2R)-3-[(1,2-Dihydro-2-hydroxy-1-naphthalenyl)thio]-2-oxopropanoic acid
formula C13H12O4S
structure
Isomeric_Smiles C1CN(CCN1CC2=CC=C(S2)Cl)C3=NC=C(C=C3)[N+](=O)[O-]
Cannoical_Smiles C1CN(CCN1CC2=CC=C(S2)Cl)C3=NC=C(C=C3)[N+](=O)[O-]
Gotenzyme_Smiles O=C(O)C(=O)CS[C@@H]1c2ccccc2C=C[C@H]1O