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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 C19277
pubchemid 124489949
name N-Nitrosodi-n-butylamine
formula C8H18N2O
structure
Isomeric_Smiles CCCCC[C@@H](/C=C/[C@H]1[C@H]([C@H](CC(=O)O1)O)C/C=C\CCCC(=O)O)O
Cannoical_Smiles CCCCCC(C=CC1C(C(CC(=O)O1)O)CC=CCCCC(=O)O)O
Gotenzyme_Smiles CCCCN(CCCC)N=O