Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(CC1=CC=C(C=C1)[N+]([O-])=O)NC(=S)C1=C(C)C=CC=C1Cl

InChIKey

InChIKey=FTHZWBGNOBWACY-UHFFFAOYSA-N

Formula

C18H17ClN2O4S

Mass

392.85

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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 homomonocyclic compounds

Substituents

Phenylalanine or derivatives - Alpha-amino acid ester - Amphetamine or derivatives - Nitrobenzene - Nitroaromatic compound - Toluene - Chlorobenzene - Fatty acid ester - Halobenzene - Aryl chloride - Aryl halide - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Thioamide - Methyl ester - C-nitro compound - Carboxylic acid ester - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Thiocarboxylic acid amide - Organic oxoazanium - Thiocarbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organic salt - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic cation - Aromatic homomonocyclic 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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