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Structure Information
Structure

Compound Identification

SMILES

CC1C(CN2C=NC(Cl)=C2Cl)OC(OC1C1=CC=C(CO)C=C1)C1=CC=CC(=C1)C1=CC(CNC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C2=CC=C(C)C=C2)=CC=C1

InChIKey

InChIKey=LGQYVWHQEZHZRI-UHFFFAOYSA-N

Formula

C45H44Cl2N4O6S

Mass

839.83

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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 - Biphenyl - Alpha-amino acid amide - P-toluenesulfonamide - Amphetamine or derivatives - Tosyl compound - Benzenesulfonamide - Benzenesulfonyl group - Benzyl alcohol - Toluene - N-substituted imidazole - Fatty amide - Meta-dioxane - Organosulfonic acid amide - Aryl chloride - Aryl halide - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Sulfonyl - Imidazole - Aminosulfonyl compound - Heteroaromatic compound - Organic sulfonic acid or derivatives - Azole - Organosulfonic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Organosulfur compound - Carbonyl group - Primary alcohol - Aromatic alcohol - Organic oxygen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - 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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