Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 09:54:49 UTC
Update Date2022-08-31 06:46:07 UTC
Metabolite IDMMDBc0019895
Metabolite Identification
Common NameTerretrione C
DescriptionTerretrione C 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. Based on a literature review very few articles have been published on Terretrione C.
Structure
SynonymsNot Available
Molecular FormulaC18H24N2O3
Average Mass316.401
Monoisotopic Mass316.178692641
IUPAC Name6-benzyl-3-(butan-2-yl)-1,4-dimethyl-1,4-diazepane-2,5,7-trione
Traditional Name6-benzyl-1,4-dimethyl-3-(sec-butyl)-1,4-diazepane-2,5,7-trione
CAS Registry NumberNot Available
SMILES
CCC(C)C1N(C)C(=O)C(CC2=CC=CC=C2)C(=O)N(C)C1=O
InChI Identifier
InChI=1S/C18H24N2O3/c1-5-12(2)15-18(23)20(4)17(22)14(16(21)19(15)3)11-13-9-7-6-8-10-13/h6-10,12,14-15H,5,11H2,1-4H3
InChI KeyZJQJAOQHQVJSFD-UHFFFAOYSA-N