Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)C1=CC=CC=C1)C(C)(C)S(C)(=O)=O

InChIKey

InChIKey=CSZHTDQPZAMTHE-BUOONKCFSA-N

Formula

C37H54N4O6S

Mass

682.92

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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 heteropolycyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - Valine or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Phenylbutylamine - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - 2-piperidinecarboxamide - Piperidinecarboxamide - Benzoyl - Aralkylamine - Piperidine - N-acyl-amine - Fatty acyl - Fatty amide - Sulfonyl - Sulfone - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - 1,2-aminoalcohol - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organosulfur compound - Carbonyl group - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic 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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