Structure Information
Structure

Compound Identification

SMILES

Cl.CCOC(=O)[C@@H](N)CC1=CC(OC)=C(OC)C=C1

InChIKey

InChIKey=RRSUQLWQNQVELJ-PPHPATTJSA-N

Formula

C13H20ClNO4

Mass

289.76

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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 - Alpha-amino acid ester - Amphetamine or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Carboxylic acid ester - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organonitrogen compound - Primary aliphatic amine - Organooxygen compound - Amine - Primary amine - Carbonyl group - Hydrochloride - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - 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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