Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)C1=CC=CC=C1CN(CC(O)=O)S(C)(=O)=O)NC(=O)C1=CC=CC=C1Cl

InChIKey

InChIKey=BCQVUYSIIBYWGC-DEOSSOPVSA-N

Formula

C27H27ClN2O7S

Mass

559.03

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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 - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Biphenyl - Amphetamine or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Benzoyl - Chlorobenzene - Fatty acid ester - Halobenzene - Aryl chloride - Dicarboxylic acid or derivatives - Aryl halide - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Organosulfonic acid amide - Organic sulfonic acid amide - Methyl ester - Aminosulfonyl compound - Sulfonyl - Organic sulfonic acid or derivatives - Vinylogous halide - Organosulfonic acid or derivatives - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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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