Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S(=O)(=O)C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)C1=C(NC(=O)OC(C)(C)C)C=CC(=C1)C(F)(F)F

InChIKey

InChIKey=JTTPVVOFRSIVBY-CVDCTZTESA-N

Formula

C29H36F3N3O6S

Mass

611.68

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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

N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Phenylcarbamic acid ester - N-substituted-alpha-amino acid - Trifluoromethylbenzene - Tosyl compound - Alpha-amino acid or derivatives - Benzenesulfonyl group - Benzoyl - Toluene - Carbamic acid ester - Sulfonyl - Sulfone - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - 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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