CHEBI:82790 - methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate
ChEBI ID CHEBI:82790
ChEBI ASCII Name methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate
Definition An alanine derivative that is methyl alaninate in which one of the hydrogens attached to the nitrogen is substituted by a methoxyacetyl group, while the other is substituted by a 2,6-dimethylphenyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C15H21NO4
Net Charge 0
Average Mass 279.33150
Monoisotopic Mass 279.14706
InChI InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3
InChIKey ZQEIXNIJLIKNTD-UHFFFAOYSA-N
SMILES COCC(=O)N(C(C)C(=O)OC)c1c(C)cccc1C
ChEBI Ontology
Outgoing methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate (CHEBI:82790) is a alanine derivative (CHEBI:22278)
methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate (CHEBI:82790) is a aromatic amide (CHEBI:62733)
methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate (CHEBI:82790) is a carboxamide (CHEBI:37622)
methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate (CHEBI:82790) is a ether (CHEBI:25698)
methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate (CHEBI:82790) is a methyl ester (CHEBI:25248)
Incoming (S)-metalaxyl (CHEBI:82791) is a methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate (CHEBI:82790)
metalaxyl-M (CHEBI:60607) is a methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate (CHEBI:82790)
IUPAC Name
methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate
Manual Xref Database
444 PPDB
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Last Modified
03 March 2015