Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C(CSC(=O)C1=CC=C(CO[NH+](O)[O-])C=C1)NC(=O)C1=CC=CC=C1

InChIKey

InChIKey=YTDDYAFOLJGSRI-UHFFFAOYSA-N

Formula

C20H22N2O7S

Mass

434.46

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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

Direct Parent

Hippuric acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid ester - Cysteine or derivatives - Alpha-amino acid or derivatives - Thiobenzoic acid or derivatives - Benzoyl - Fatty acyl thioester - N-acyl-amine - Carbothioic s-ester - Thiocarboxylic acid ester - Carboxylic acid ester - Carboxamide group - Sulfenyl compound - Thiocarboxylic acid or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic hyponitrite - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.

External Descriptors

Not available

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