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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 C11601
pubchemid 13766
name LDS-751
formula C21H23N2S. O4Cl
structure
Isomeric_Smiles C[C@@]1(CCC2C1(C=CC3=C4CCC(=O)C=C4CCC23)C)O
Cannoical_Smiles CC1(CCC2C1(C=CC3=C4CCC(=O)C=C4CCC23)C)O
Gotenzyme_Smiles CC[n+]1c(/C=C/C=C/c2ccc(N(C)C)cc2)sc2ccccc21.[O-][Cl+3]([O-])([O-])[O-]