Structure Information
Structure

Compound Identification

SMILES

CC1=NC(=O)C2=CC(CN(CC#C)C3=CC(F)=C(C=C3)C(=O)NC(CCCCS(=O)C3=NNN=N3)C(O)=O)=C(C)C=C2N1

InChIKey

InChIKey=LUEVROSCLILPJS-UHFFFAOYSA-N

Formula

C28H29FN8O5S

Mass

608.65

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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 heteropolycyclic compounds

Substituents

Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Diazanaphthalene - Alpha-amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Quinazoline - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Medium-chain fatty acid - Dialkylarylamine - Fluorobenzene - Halobenzene - Halogenated fatty acid - Heterocyclic fatty acid - Pyrimidone - Thia fatty acid - Aralkylamine - Aryl halide - Fatty acyl - Aryl fluoride - Pyrimidine - Azole - Tetrazole - Vinylogous halide - Vinylogous amide - Heteroaromatic compound - Tertiary amine - Amino acid - Carboxamide group - Sulfoxide - Amino acid or derivatives - Secondary carboxylic acid amide - Sulfinyl compound - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Acetylide - Organopnictogen compound - Organic nitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic 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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