Structure Information
Structure

Compound Identification

SMILES

CC1=CC2=C(NC(=O)CO2)C=C1S(=O)(=O)NC(CC1=CC=C(F)C=C1)C(O)=O

InChIKey

InChIKey=DADYFZWZCIUFGS-UHFFFAOYSA-N

Formula

C18H17FN2O6S

Mass

408.4

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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

Phenylalanine and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenylalanine or derivatives - 3-phenylpropanoic-acid - Benzoxazinone - Amphetamine or derivatives - Benzomorpholine - Benzoxazine - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aryl fluoride - Oxazinane - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Organosulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Lactam - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid - Ether - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organosulfur compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

External Descriptors

Not available

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