Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C(\SC[C@@H](NC(=O)C1=CC=CC=C1)C(O)=O)=C\C[C@H](C)O

InChIKey

InChIKey=JICVCRSUORGCNK-RFNPAYEOSA-N

Formula

C18H23NO6S

Mass

381.44

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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 or derivatives - Benzoyl - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxamide group - Carboxylic acid ester - Thioenolether - Secondary carboxylic acid amide - Secondary alcohol - Sulfenyl compound - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Alcohol - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - 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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