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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 C07864
pubchemid 10066
name Rabeprazole
formula C18H21N3O3S
structure
Isomeric_Smiles C1[C@H]2C=C[C@H]1[C@H]3[C@@H]2[C@@]4(C(=C([C@@]3(C4(Cl)Cl)Cl)Cl)Cl)Cl
Cannoical_Smiles C1C2C=CC1C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl
Gotenzyme_Smiles COCCCOc1ccnc(CS(=O)c2nc3ccccc3[nH]2)c1C