Structure Information
Structure

Compound Identification

SMILES

COC(=O)C[C@@H]([C@@H](NC(=O)[C@@H](O)C1=CC=C(C=C1)C(F)(F)F)C(=O)OC)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=CNMKXPZXQJIFEF-QRQLOZEOSA-N

Formula

C22H21F3N2O8

Mass

498.411

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Amino acids, peptides, and analogues

Intermediate Tree Nodes

Amino acids and derivatives - Alpha amino acids and derivatives

Direct Parent

N-acyl-alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Trifluoromethylbenzene - Phenylacetamide - Nitrobenzene - Nitroaromatic compound - Fatty acid ester - Fatty acid methyl ester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Methyl ester - Carboxamide group - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Secondary alcohol - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organic zwitterion - Organofluoride - Organohalogen compound - Organic salt - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Alcohol - Carbonyl group - Organic oxygen compound - Aromatic alcohol - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.

External Descriptors

Not available

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