Structure Information
Structure

Compound Identification

SMILES

CS(=O)(=O)C1=CC=CC(C[C@H](NC(=O)C2=CC3=C(CN(CC3Cl)C(=O)\C=C\C3=C(O)C=CC(F)=C3)C=C2Cl)C(O)=O)=C1

InChIKey

InChIKey=WTZBTTJXNRAUCK-LBEFJDSNSA-N

Formula

C29H25Cl2FN2O7S

Mass

635.48

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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 heteropolycyclic compounds

Substituents

Phenylalanine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - 3-phenylpropanoic-acid - Amphetamine or derivatives - Tetrahydroisoquinoline - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzenesulfonyl group - 4-halophenol - 4-fluorophenol - Styrene - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fluorobenzene - Aryl halide - Monocyclic benzene moiety - Benzenoid - Aryl fluoride - Aryl chloride - Tertiary carboxylic acid amide - Sulfonyl - Sulfone - Vinylogous halide - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Amino acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid - Organochloride - Organosulfur compound - Alkyl chloride - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Alkyl halide - Amine - Organic oxide - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic 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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