Structure Information
Structure

Compound Identification

SMILES

CCN(CC)S(=O)(=O)C1=NC=NC(N[C@@H](CC2=CC(Cl)=C(NC(=O)C3=CC(Cl)=NC(Cl)=C3)C(Cl)=C2)C(O)=O)=C1

InChIKey

InChIKey=PXRYTHQBEXAMJL-INIZCTEOSA-N

Formula

C23H22Cl4N6O5S

Mass

636.33

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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 - Aromatic anilide - 3-phenylpropanoic-acid - Amphetamine or derivatives - L-alpha-amino acid - Pyridine carboxylic acid or derivatives - 1,3-dichlorobenzene - Polyhalopyridine - Aminopyrimidine - 2-halopyridine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Pyrimidine - Organosulfonic acid amide - Benzenoid - Imidolactam - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Amine - Organic oxygen 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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