Structure Information
Structure

Compound Identification

SMILES

NC(N)=NCCC[C@H](NC(=O)C1=CC(OCCC2=CC=CC=C2[N+]([O-])=O)=C(N)C=C1)C(N)=O

InChIKey

InChIKey=XTMKCMHANMTWLV-INIZCTEOSA-N

Formula

C21H27N7O5

Mass

457.491

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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 homomonocyclic compounds

Substituents

Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Aminophenyl ether - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Aniline or substituted anilines - Phenol ether - Benzoyl - Alkyl aryl ether - Fatty amide - Fatty acyl - Amino acid or derivatives - Guanidine - Organic nitro compound - C-nitro compound - Carboxamide group - Primary carboxylic acid amide - Secondary carboxylic acid amide - Organic oxoazanium - Carboxylic acid derivative - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Carboximidamide - Ether - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary amine - Organic zwitterion - Organic salt - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic 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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