Structure Information
Structure

Compound Identification

SMILES

CC(O)(CNCC(C)(O)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F

InChIKey

InChIKey=JPLPFOSETKVXBR-UHFFFAOYSA-N

Formula

C22H21F6N5O8

Mass

597.427

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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

Direct Parent

Beta amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Beta amino acid or derivatives - Trifluoromethylbenzene - Anilide - Nitrobenzene - Nitroaromatic compound - N-arylamide - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Secondary aliphatic amine - Organic oxoazanium - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organofluoride - Alkyl fluoride - Organohalogen compound - Organic salt - Hydrocarbon derivative - Alcohol - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Alkyl halide - Amine - Organic nitrogen compound - Organic zwitterion - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

External Descriptors

Not available

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