Structure Information
Structure

Compound Identification

SMILES

COC[C@@H]1CC(CN1CC1=CC(=C(C=C1)C(=O)N[C@@H](CCS(C)(=O)=O)C(O)=O)C1=CC=CC=C1C)OC1=CC=CC=C1

InChIKey

InChIKey=MYJQCMJALNJBFH-TVQFGDNFSA-N

Formula

C32H38N2O7S

Mass

594.72

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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 heteromonocyclic compounds

Substituents

Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Biphenyl - Alpha-amino acid or derivatives - Phenoxy compound - Benzoyl - Benzylamine - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Toluene - Thia fatty acid - Fatty acyl - N-alkylpyrrolidine - Sulfone - Pyrrolidine - Sulfonyl - Secondary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Amino acid - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Azacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organosulfur compound - Amine - Organooxygen compound - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic 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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