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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 C10752
pubchemid 12935
name Aphylline
formula C15H24N2O
structure
Isomeric_Smiles CCCC1C(=O)N(C(=O)N(C1=O)C2CCCCC2)C3CCCCC3
Cannoical_Smiles CCCC1C(=O)N(C(=O)N(C1=O)C2CCCCC2)C3CCCCC3
Gotenzyme_Smiles O=C1[C@@H]2C[C@H](CN3CCCC[C@@H]23)[C@H]2CCCCN12