Structure Information
Structure

Compound Identification

SMILES

CCC1=C(C=CC(CC(NC(C)=O)C(=O)NCCCCOC2=C(C(O)=O)C(O)=CC(Cl)=C2)=C1)N(C(=O)C(O)=O)C1=CC=CC=C1C(O)=O

InChIKey

InChIKey=BVWSXHNWLNETMO-UHFFFAOYSA-N

Formula

C33H34ClN3O11

Mass

684.1

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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 - Acylaminobenzoic acid or derivatives - Alpha-amino acid amide - Hydroxybenzoic acid - Salicylic acid or derivatives - Salicylic acid - Amphetamine or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 4-halobenzoic acid - Halobenzoic acid - Benzoic acid - Benzoic acid or derivatives - Anilide - 3-halophenol - 3-chlorophenol - Benzoyl - Phenoxy compound - Phenol ether - Halobenzene - Alkyl aryl ether - Chlorobenzene - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Aryl chloride - Fatty amide - Aryl halide - Fatty acyl - Acetamide - Tertiary carboxylic acid amide - Vinylogous amide - Vinylogous acid - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic oxide - 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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