Structure Information
Structure

Compound Identification

SMILES

CC1CC2=C(Cl)C=C(C(=O)NC(CS)C(O)=O)C(O)=C2C(=O)O1

InChIKey

InChIKey=MKHQWKDSVSHXQF-UHFFFAOYSA-N

Formula

C14H14ClNO6S

Mass

359.78

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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 - N-acyl-alpha amino acids and derivatives

Direct Parent

N-acyl-alpha amino acids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

N-acyl-alpha-amino acid - Cysteine or derivatives - Benzopyran - Isochromane - Salicylic acid or derivatives - 2-benzopyran - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Benzenoid - Vinylogous acid - Carboxamide group - Carboxylic acid ester - Lactone - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid - Alkylthiol - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.

External Descriptors

Not available

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