Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(C2=CC=C(C=C2)C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N[C@@H](C(C)C)C(=O)N2C3CCC(CC3)[C@@H]2C(=O)NC(C(C)C)C(=O)C(F)(F)F)C(C(=O)OCC)=C(C)N=C1C

InChIKey

InChIKey=OHCTULZDELJOOU-LHIJAJSBSA-N

Formula

C46H54F3N5O11S

Mass

942.02

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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

N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Valine or derivatives - 4-phenylpyridine - Alpha-amino acid amide - Benzenesulfonamide - Alpha-amino acid or derivatives - Pyridine carboxylic acid - Benzenesulfonyl group - Pyridine carboxylic acid or derivatives - N-acyl-piperidine - 2-piperidinecarboxamide - Piperidinecarboxamide - Benzoyl - Methylpyridine - Pyridine - Piperidine - Alpha-haloketone - Heteroaromatic compound - Aminosulfonyl compound - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Carboxamide group - Carboxylic acid ester - Ketone - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Alkyl fluoride - Organic nitrogen compound - Organooxygen compound - Amine - Organohalogen compound - Alkyl halide - 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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