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CHEBI:232821 - (2S)-2-amino-3-[4-(3-oxobutanoyl)phenyl]propanoic acid

Default Structure
ChEBI IDCHEBI:232821
ChEBI Name(2S)-2-amino-3-[4-(3-oxobutanoyl)phenyl]propanoic acid
Stars
SubmitterDrey.Devi
DownloadsMolfile
FormulaC13H15NO4
Net Charge0
Average Mass249.266
Monoisotopic Mass249.10011
SMILES[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])c1c([H])c([H])c(C(=O)C([H])([H])C(=O)C([H])([H])[H])c([H])c1[H]
InChIInChI=1S/C13H15NO4/c1-8(15)6-12(16)10-4-2-9(3-5-10)7-11(14)13(17)18/h2-5,11H,6-7,14H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeySDCUHTYMKHFOIN-NSHDSACASA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-amino-3-[4-(3-oxobutanoyl)phenyl]propanoic acid (CHEBI:232821) is a organic molecular entity (CHEBI:50860)