N-Acetyl-S-(2-cyanoethyl)-cysteine (CHEBI:165879)

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

ChEBI ID	CHEBI:165879

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

Submitter	MetaboLights

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Download	Molfile XML SDF

Formula

C8H12N2O3S

Net Charge

Average Mass

216.260

Monoisotopic Mass

216.05686

InChI

InChI=1S/C8H12N2O3S/c1-6(11)10-7(8(12)13)5-14-4-2-3-9/h7H,2,4-5H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1

InChIKey

VDKVYEUEJCNDHM-ZETCQYMHSA-N

SMILES

S(C[C@H](NC(=O)C)C(O)=O)CCC#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-cyanoethyl)-cysteine (CHEBI:165879) is a N-acyl-L-amino acid (CHEBI:21644)

IUPAC Name

(2R)-2-acetamido-3-(2-cyanoethylsulanyl)propanoic acid

Registry Number	Type	Source
74514-75-3	CAS Registry Number	ChemIDplus