Structure Information
Structure

Compound Identification

SMILES

CC(C)CN(CCO)CCCC(NC(=O)C1=CC=C(CNCC2=NC=CN2C)C=C1)C(=O)N[C@@H](C)C1=CC=CC2=CC=CC=C12

InChIKey

InChIKey=CQTUUEZFJFULNU-GFDSEFBSSA-N

Formula

C36H48N6O3

Mass

612.819

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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 - Benzoyl - Benzylamine - Phenylmethylamine - Aralkylamine - Fatty acyl - N-substituted imidazole - N-acyl-amine - Fatty amide - Azole - Heteroaromatic compound - Imidazole - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - 1,2-aminoalcohol - Carboxamide group - Secondary amine - Organoheterocyclic compound - Alkanolamine - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary alcohol - Amine - Alcohol - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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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