Structure Information
Structure

Compound Identification

SMILES

CC1=C(N)C=C(CN2CCC(C2)NC(=O)CNC(=O)C2=C(NC(=O)OC(C)(C)C)C=CC(=C2)C(F)(F)F)C=C1

InChIKey

InChIKey=CAAACCNLBOEEQH-UHFFFAOYSA-N

Formula

C27H34F3N5O4

Mass

549.595

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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 heteromonocyclic 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 - Alpha-amino acid or derivatives - Trifluoromethylbenzene - Benzoyl - Aminotoluene - Aniline or substituted anilines - Phenylmethylamine - Benzylamine - Aralkylamine - Toluene - N-alkylpyrrolidine - Vinylogous amide - Pyrrolidine - Carbamic acid ester - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary amine - Hydrocarbon derivative - Organic oxide - Amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic 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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