RefMet Compound Details

MW structure79006 (View MW Metabolite Database details)
RefMet nameTrp-Leu
Systematic nameL-Tryptophanyl-L-leucine
SMILESCC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass317.173942 (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
FormulaC17H23N3O3View other entries in RefMet with this formula
InChIKeyLYMVXFSTACVOLP-ZFWWWQNUSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Pubchem CID6997510
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)