EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:82787 - methyl N-(2,6-dimethylphenyl)-N-2-furoylalaninate

Default Structure
ChEBI IDCHEBI:82787
ChEBI Namemethyl N-(2,6-dimethylphenyl)-N-2-furoylalaninate
Stars
ASCII Namemethyl N-(2,6-dimethylphenyl)-N-2-furoylalaninate
DefinitionAn alanine derivative that is the N-furoyl derivative of methyl N-(2,6-dimethylphenyl)alaninate
Last Modified3 March 2015
SubmitterSteve
DownloadsMolfile
FormulaC17H19NO4
Net Charge0
Average Mass301.342
Monoisotopic Mass301.13141
SMILESCOC(=O)C(C)N(C(=O)c1ccco1)c1c(C)cccc1C
InChIInChI=1S/C17H19NO4/c1-11-7-5-8-12(2)15(11)18(13(3)17(20)21-4)16(19)14-9-6-10-22-14/h5-10,13H,1-4H3
InChIKeyCIEXPHRYOLIQQD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
methyl N-(2,6-dimethylphenyl)-N-2-furoylalaninate (CHEBI:82787) is a alanine derivative (CHEBI:22278)
methyl N-(2,6-dimethylphenyl)-N-2-furoylalaninate (CHEBI:82787) is a aromatic amide (CHEBI:62733)
methyl N-(2,6-dimethylphenyl)-N-2-furoylalaninate (CHEBI:82787) is a carboxamide (CHEBI:37622)
methyl N-(2,6-dimethylphenyl)-N-2-furoylalaninate (CHEBI:82787) is a furans (CHEBI:24129)
methyl N-(2,6-dimethylphenyl)-N-2-furoylalaninate (CHEBI:82787) is a methyl ester (CHEBI:25248)
Incoming Relation(s)
(R)-furalaxyl (CHEBI:82788) is a methyl N-(2,6-dimethylphenyl)-N-2-furoylalaninate (CHEBI:82787)
(S)-furalaxyl (CHEBI:82789) is a methyl N-(2,6-dimethylphenyl)-N-2-furoylalaninate (CHEBI:82787)
IUPAC Name 
methyl N-(2,6-dimethylphenyl)-N-2-furoylalaninate
Manual XrefsDatabases
366PPDB