Structure Information
Structure

Compound Identification

SMILES

[Na+].CC(CC=S)N([C@@H](C)C([O-])=O)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=YJLDXWNIIQXCRU-FTCYEJDNSA-M

Formula

C13H15ClNNaO2S

Mass

307.77

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Amino acids, peptides, and analogues

Intermediate Tree Nodes

Amino acids and derivatives - Alpha amino acids and derivatives

Direct Parent

Alanine and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Alanine or derivatives - Alpha-amino acid - L-alpha-amino acid - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxylic acid salt - Amino acid - Tertiary amine - Organic metal halide - Thioaldehyde - Carboxylic acid - Organic alkali metal salt - Monocarboxylic acid or derivatives - Organic salt - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organosulfur compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Carbonyl group - Organic oxide - Thiocarbonyl group - Organic oxygen compound - Organic zwitterion - Organic sodium salt - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as alanine and derivatives. These are compounds containing alanine or a derivative thereof resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

External Descriptors

Not available

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