Structure Information
Structure

Compound Identification

SMILES

CN1N=NN=C1C1=CC(CC2(CCCC2)C(=O)N[C@@H](CC2=CC=C(NC(=O)C3=C(Cl)C=CC=C3Cl)C=C2)C(O)=O)=CC=C1

InChIKey

InChIKey=PYGLVDAJIZZAIX-VWLOTQADSA-N

Formula

C31H30Cl2N6O4

Mass

621.52

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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 - Benzanilide - Aromatic anilide - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - 3-phenylpropanoic-acid - Phenyltetrazole - Amphetamine or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - 1,3-dichlorobenzene - Benzoyl - Halobenzene - Chlorobenzene - Monocyclic benzene moiety - Fatty acyl - Aryl halide - Aryl chloride - Fatty amide - Benzenoid - Tetrazole - Heteroaromatic compound - Azole - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organic oxygen compound - Organohalogen compound - Organic oxide - 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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