Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(CC1=CC=C(C)C=C1)NC(=S)C1(CCCCS(C)(=O)=O)CCCC1

InChIKey

InChIKey=LOYQLVPRHFYFAN-UHFFFAOYSA-N

Formula

C22H33NO4S2

Mass

439.63

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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 - Fatty acid ester - Toluene - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Methyl ester - Thioamide - Sulfonyl - Sulfone - Carboxylic acid ester - Thiocarboxylic acid amide - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxide - Thiocarbonyl group - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - 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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