Methyl alpha-aspartylphenylalaninate (CHEBI:177838)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Methyl alpha-aspartylphenylalaninate

ChEBI ID	CHEBI:177838

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H18N2O5

Net Charge

Average Mass

294.307

Monoisotopic Mass

294.12157

InChI

InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)

InChIKey

IAOZJIPTCAWIRG-UHFFFAOYSA-N

SMILES

O(C(=O)C(NC(=O)C(N)CC(O)=O)CC1=CC=CC=C1)C

Metabolite of Species	Details
Sus scrofa (NCBI:txid9823)	Found in sausage (ENVO:00002166). See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

ChEBI Ontology
Outgoing	Methyl alpha-aspartylphenylalaninate (CHEBI:177838) is a peptide (CHEBI:16670)

IUPAC Name

3-amino-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid