Structure Information
Structure

Compound Identification

SMILES

[Na+].COCCCC1=CC(CN(C2CC2)C(=O)C(CN)CC2=CC=C(OCCOC3=C(Cl)C=C(C)C=C3Cl)C=C2)=C(Cl)C(OCC2CC2C([O-])=O)=C1

InChIKey

InChIKey=XCTSZBACEXMKLG-UHFFFAOYSA-M

Formula

C38H44Cl3N2NaO7

Mass

770.12

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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 - 1,3-dichlorobenzene - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Toluene - Aralkylamine - Aryl chloride - Cyclopropanecarboxylic acid or derivatives - Cyclopropanecarboxylic acid - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Amino acid - Carboxylic acid salt - Carboxamide group - Carboxylic acid - Monocarboxylic acid or derivatives - Organic metal halide - Dialkyl ether - Ether - Organic alkali metal salt - Organic nitrogen compound - Primary aliphatic amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary amine - Organic zwitterion - Organic salt - Carbonyl group - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic oxygen 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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