Structure Information
Structure

Compound Identification

SMILES

CC1=C(CN(CC2=CC=C(F)C=C2)C(=O)CN(CCN2CCCC2)C(=O)C2=CC=C(C=C2)[N+]([O-])=O)SC=C1

InChIKey

InChIKey=KCPURHPCFGBKGK-UHFFFAOYSA-N

Formula

C28H31FN4O4S

Mass

538.64

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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 heteromonocyclic compounds

Substituents

Hippuric acid or derivatives - Alpha-amino acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - N-alkylpyrrolidine - Heteroaromatic compound - Pyrrolidine - Tertiary carboxylic acid amide - Thiophene - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Carboxamide group - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic salt - Organohalogen compound - Organofluoride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic zwitterion - Amine - Aromatic heteromonocyclic 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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