Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C(CS(=O)(=O)N(C)C)NC(=O)C1=CC=C(NCC2=CN=C3N=C(N)N=C(N)C3=N2)C=C1

InChIKey

InChIKey=VGEGNTXNJRPUEO-UHFFFAOYSA-N

Formula

C21H27N9O5S

Mass

517.57

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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

Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Pteridine - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Aminopyrimidine - Aralkylamine - Organosulfonic acid amide - Pyrazine - Pyrimidine - Organic sulfonic acid amide - Imidolactam - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Secondary amine - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Primary amine - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organooxygen compound - Organic oxide - Organosulfur 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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