Structure Information
Structure

Compound Identification

SMILES

CCS(=O)(=O)C[C@H](CC1CCCCC1)NCC1=CC(=C(C=C1)C(=O)N[C@@H](CCS(C)(=O)=O)C(O)=O)C1=CC=CC=C1C

InChIKey

InChIKey=ASWWGQSASVXGDY-SVEHJYQDSA-N

Formula

C31H44N2O7S2

Mass

620.82

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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 - Biphenyl - Alpha-amino acid or derivatives - Benzoyl - Benzylamine - Phenylmethylamine - Aralkylamine - Toluene - Thia fatty acid - Fatty acyl - Sulfonyl - Sulfone - Amino acid or derivatives - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Secondary amine - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Amine - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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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