Structure Information
Structure

Compound Identification

SMILES

CCOC[C@H](OCC1=CC(=C(C=C1)C(=O)N[C@@H](CCS(C)(=O)=O)C(O)=O)C1=CC=CC=C1C)C1=CC=C(CN(C)C)S1

InChIKey

InChIKey=ZCGQJKZUVRRWAI-NSOVKSMOSA-N

Formula

C31H40N2O7S2

Mass

616.79

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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

N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid - Biphenyl - Alpha-amino acid or derivatives - Benzylether - Benzoyl - Aralkylamine - 2,5-disubstituted thiophene - Thia fatty acid - Toluene - Fatty acyl - Heteroaromatic compound - Sulfone - Sulfonyl - Thiophene - Amino acid - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Amine - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organonitrogen 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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