Structure Information
Structure

Compound Identification

SMILES

[Na+].CS(=O)(=O)CCCCC1(CCCC1)C(=S)N[C@@H](CC1=CC=C(NC(=O)C2=C(Cl)C=CC=C2Cl)C=C1)C([O-])=O

InChIKey

InChIKey=LVKFCQAXCKRZRI-FTBISJDPSA-M

Formula

C27H31Cl2N2NaO5S2

Mass

621.56

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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 - Benzanilide - Aromatic anilide - 3-phenylpropanoic-acid - Amphetamine or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Benzoyl - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Aryl halide - Vinylogous halide - Thioamide - Sulfonyl - Sulfone - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Organic metal halide - Organic alkali metal salt - Carboxylic acid - Thiocarboxylic acid amide - Monocarboxylic acid or derivatives - Organic oxygen compound - Thiocarbonyl group - Organohalogen compound - Organic salt - Organochloride - Organic nitrogen compound - Carbonyl group - Organic sodium salt - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - 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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