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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 C19247
pubchemid 124489919
name HC Blue No.1
formula C11H17N3O4
structure
Isomeric_Smiles CC(C)CN1C(=O)C2=CC=CC=C2N3[C@@]1(CCC3=O)C(=O)NC4=CC(=CC=C4)OC
Cannoical_Smiles CC(C)CN1C(=O)C2=CC=CC=C2N3C1(CCC3=O)C(=O)NC4=CC(=CC=C4)OC
Gotenzyme_Smiles CNc1ccc(N(CCO)CCO)cc1[N+](=O)[O-]