Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC=C(C=C1)C1=CC=C(CN([C@@H](CC2=CC=CC=C2)C(O)=O)C(=O)C2=C(Cl)C=C(Cl)C=C2)S1

InChIKey

InChIKey=YVQOUYXXXQOSIT-VWLOTQADSA-N

Formula

C29H23Cl2NO5S

Mass

568.47

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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 heteromonocyclic compounds

Substituents

Phenylalanine or derivatives - Hippuric acid or derivatives - Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - 3-phenylpropanoic-acid - Amphetamine or derivatives - Benzoate ester - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - 1,3-dichlorobenzene - Benzoyl - Halobenzene - Chlorobenzene - 2,5-disubstituted thiophene - Aryl halide - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Vinylogous halide - Heteroaromatic compound - Methyl ester - Thiophene - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic heteromonocyclic 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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