Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 22:22:42 UTC
Update Date2022-08-31 06:22:20 UTC
Metabolite IDMMDBc0004371
Metabolite Identification
Common NameCyclo(L-leucyl-L-trytophyl)
Description3-[(1H-indol-3-yl)methyl]-6-(2-methylpropyl)-3,6-dihydropyrazine-2,5-diol belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. 3-[(1H-indol-3-yl)methyl]-6-(2-methylpropyl)-3,6-dihydropyrazine-2,5-diol is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
SynonymsNot Available
Molecular FormulaC17H21N3O2
Average Mass299.374
Monoisotopic Mass299.163376928
IUPAC Name3-[(1H-indol-3-yl)methyl]-6-(2-methylpropyl)piperazine-2,5-dione
Traditional Name3-(1H-indol-3-ylmethyl)-6-(2-methylpropyl)piperazine-2,5-dione
CAS Registry NumberNot Available
SMILES
CC(C)CC1NC(=O)C(CC2=CNC3=CC=CC=C23)NC1=O
InChI Identifier
InChI=1S/C17H21N3O2/c1-10(2)7-14-16(21)20-15(17(22)19-14)8-11-9-18-13-6-4-3-5-12(11)13/h3-6,9-10,14-15,18H,7-8H2,1-2H3,(H,19,22)(H,20,21)
InChI KeyBZUNCDPEEKFTCX-UHFFFAOYSA-N