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CHEBI:208439 - (S)-methyl-2-acetamido-4-(2-(methylamino)phenyl)-4-oxobutanoate

ChEBI IDCHEBI:208439
ChEBI Name(S)-methyl-2-acetamido-4-(2-(methylamino)phenyl)-4-oxobutanoate
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SubmitterMetaboLights
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FormulaC14H18N2O4
Net Charge0
Average Mass278.308
Monoisotopic Mass278.12666
SMILESCNc1ccccc1C(=O)C[C@H](NC(C)=O)C(=O)OC
InChIInChI=1S/C14H18N2O4/c1-9(17)16-12(14(19)20-3)8-13(18)10-6-4-5-7-11(10)15-2/h4-7,12,15H,8H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyMJJGMIZYROXQLJ-LBPRGKRZSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31284448)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(S)-methyl-2-acetamido-4-(2-(methylamino)phenyl)-4-oxobutanoate (CHEBI:208439) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
methyl (2S)-2-acetamido-4-[2-(methylamino)phenyl]-4-oxobutanoate
Manual XrefsDatabases
75715000ChemSpider