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

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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

ChEBI ID	CHEBI:181447

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H15N2O5

Net Charge

-1

Average Mass

279.273

Monoisotopic Mass

279.09865

InChI

InChI=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

InChIKey

YZQCXOFQZKCETR-UWVGGRQHSA-M

SMILES

O=C(N[C@@H](CC1=CC=CC=C1)C([O-])=O)[C@@H]([NH3+])CC([O-])=O

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	(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