Structure Information
Structure

Compound Identification

SMILES

C[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)C1=CC=C(CN(CCC2=CN=CC=C2)CC2=CC=C(F)C=C2)C=C1)C1=CC=CC2=CC=CC=C12

InChIKey

InChIKey=UTUGYXULTQVXHB-XOAACPPSSA-N

Formula

C40H44FN7O2

Mass

673.837

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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

Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Naphthalene - Benzylamine - Benzoyl - Phenylmethylamine - Fluorobenzene - Halobenzene - Aralkylamine - Fatty amide - N-acyl-amine - Fatty acyl - Aryl halide - Aryl fluoride - Pyridine - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Guanidine - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Carboximidamide - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen 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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