EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:82777 - methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate

ChEBI IDCHEBI:82777
ChEBI Namemethyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate
Stars
ASCII Namemethyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate
DefinitionAn alanine derivative that is the N-phenylacetyl derivative of methyl N-(2,6-dimethylphenyl)alaninate
Last Modified3 March 2015
SubmitterSteve
DownloadsMolfile
FormulaC20H23NO3
Net Charge0
Average Mass325.408
Monoisotopic Mass325.16779
SMILESCOC(=O)C(C)N(C(=O)Cc1ccccc1)c1c(C)cccc1C
InChIInChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3
InChIKeyCJPQIRJHIZUAQP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate (CHEBI:82777) is a alanine derivative (CHEBI:22278)
methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate (CHEBI:82777) is a aromatic amide (CHEBI:62733)
methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate (CHEBI:82777) is a carboxamide (CHEBI:37622)
methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate (CHEBI:82777) is a methyl ester (CHEBI:25248)
Incoming Relation(s)
(S)-benalaxyl (CHEBI:82782) is a methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate (CHEBI:82777)
benalaxyl-M (CHEBI:82779) is a methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate (CHEBI:82777)
IUPAC Name 
methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate
Manual XrefsDatabases
59PPDB