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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 C19563
pubchemid 124490235
name 4-[(Hydroxymethyl)nitrosoamino]-1-(3-pyridinyl)-1-butanone
formula C10H13N3O3
structure
Isomeric_Smiles C1[C@@H](CN(C1=O)C2=CC(=CC=C2)Cl)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]
Cannoical_Smiles C1C(CN(C1=O)C2=CC(=CC=C2)Cl)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]
Gotenzyme_Smiles O=NN(CO)CCCC(=O)c1cccnc1