Structure Information
Structure

Compound Identification

SMILES

NC(=O)NCCCOC1=CC=C(C[C@H](NC(=O)C2=C(Cl)C=CC=C2Cl)C(O)=O)C=C1

InChIKey

InChIKey=XTNCVSRPUAXOII-INIZCTEOSA-N

Formula

C20H21Cl2N3O5

Mass

454.3

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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 - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid or derivatives - Hippuric acid - 3-phenylpropanoic-acid - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Amphetamine or derivatives - Benzamide - Benzoic acid or derivatives - 1,3-dichlorobenzene - Phenoxy compound - Phenol ether - Benzoyl - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Monocyclic benzene moiety - Benzenoid - Aryl halide - Vinylogous halide - Urea - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen 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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