Structure Information
Structure

Compound Identification

SMILES

Cl.CCOC(=O)CCNCC(O)COC1=CC=C(CCC(=O)OC)C=C1

InChIKey

InChIKey=QPNAREOPWNRCEQ-UHFFFAOYSA-N

Formula

C18H28ClNO6

Mass

389.87

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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

Direct Parent

Beta amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Beta amino acid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Fatty acid ester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Fatty acyl - Methyl ester - Secondary alcohol - 1,2-aminoalcohol - Carboxylic acid ester - Secondary amine - Secondary aliphatic amine - Ether - Hydrochloride - Alcohol - Organic oxide - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

External Descriptors

Not available

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