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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 C12871
pubchemid 583260
name Lopinavir
formula C37H48N4O5
structure
Isomeric_Smiles CCCCCCCCCCCCCCCCCCOC(=O)CSCC(=O)OCCCCCCCCCCCCCCCCCC
Cannoical_Smiles CCCCCCCCCCCCCCCCCCOC(=O)CSCC(=O)OCCCCCCCCCCCCCCCCCC
Gotenzyme_Smiles Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O