RefMet Compound Details

RefMet IDRM0046438
MW structure69655 (View MW Metabolite Database details)
RefMet nameN-Acetyl-leucyl-leucine
Systematic name2-[(2-acetamido-4-methyl-pentanoyl)amino]-4-methyl-pentanoic acid
SMILESCC(C)CC(C(=O)NC(CC(C)C)C(=O)O)NC(=O)C   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass286.189257 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC14H26N2O4View other entries in RefMet with this formula
InChIInChI=1S/C14H26N2O4/c1-8(2)6-11(15-10(5)17)13(18)16-12(14(19)20)7-9(3)4/h8-9,11-12H,6-7H2,1-5H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeySQGBTKIDTKOYMS-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Pubchem CID443129
ChEBI ID7193
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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