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CHEBI:181447 - (3S)-3-Azaniumyl-4-[[(1S)-1-carboxylato-2-phenylethyl]amino]-4-oxobutanoate

ChEBI IDCHEBI:181447
ChEBI Name(3S)-3-Azaniumyl-4-[[(1S)-1-carboxylato-2-phenylethyl]amino]-4-oxobutanoate
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FormulaC13H15N2O5
Net Charge-1
Average Mass279.272
Monoisotopic Mass279.09865
SMILES[NH3+][C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]
InChIInChI=1S/C13H16N2O5/c14-9(7-11(16)17)12(18)15-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,18)(H,16,17)(H,19,20)/p-1/t9-,10-/m0/s1
InChIKeyYZQCXOFQZKCETR-UWVGGRQHSA-M
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(3S)-3-Azaniumyl-4-[[(1S)-1-carboxylato-2-phenylethyl]amino]-4-oxobutanoate (CHEBI:181447) is a dipeptide (CHEBI:46761)
IUPAC Name 
(3S)-3-azaniumyl-4-[[(1S)-1-carboxylato-2-phenylethyl]amino]-4-oxobutanoate
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