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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 C09250
pubchemid 11441
name Usambarine
formula C30H34N4
structure
Isomeric_Smiles C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Br
Cannoical_Smiles C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Br
Gotenzyme_Smiles C=C[C@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CCN1C