Structure Information
Structure

Compound Identification

SMILES

NC(CSSCC(NC(=O)C1=CC=CC=C1)C(O)=O)C(O)=O

InChIKey

InChIKey=VCMITNDKIAKQSE-UHFFFAOYSA-N

Formula

C13H16N2O5S2

Mass

344.4

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Benzamides - Hippuric acids and derivatives

Direct Parent

Hippuric acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Cysteine or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Benzoyl - Dicarboxylic acid or derivatives - Amino acid or derivatives - Carboxamide group - Amino acid - Dialkyldisulfide - Organic disulfide - Secondary carboxylic acid amide - Sulfenyl compound - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Amine - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Organic oxide - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.

External Descriptors

Not available

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