N-Acetyl-S-(2-carbamoylethyl)-cysteine (CHEBI:165878)

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	N-Acetyl-S-(2-carbamoylethyl)-cysteine

ChEBI ID	CHEBI:165878

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C8H14N2O4S

Net Charge

Average Mass

234.270

Monoisotopic Mass

234.06743

InChI

InChI=1S/C8H14N2O4S/c1-5(11)10-6(8(13)14)4-15-3-2-7(9)12/h6H,2-4H2,1H3,(H2,9,12)(H,10,11)(H,13,14)/t6-/m0/s1

InChIKey

GGBCHNJZQQEQRX-LURJTMIESA-N

SMILES

S(C[C@H](NC(=O)C)C(O)=O)CCC(=O)N

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	N-Acetyl-S-(2-carbamoylethyl)-cysteine (CHEBI:165878) is a N-acyl-L-amino acid (CHEBI:21644)

IUPAC Name

(2R)-2-acetamido-3-(3-amino-3-oxopropyl)sulanylpropanoic acid

Registry Number	Type	Source
81690-92-8	CAS Registry Number	ChemIDplus