Structure Information
Structure

Compound Identification

SMILES

CCC[C@](O)(C(O)=O)C1=C(NC2=C(Cl)C=CC=C2Cl)[C@](O)(CC=C1)C(=O)NCC(C)(C)SN=O

InChIKey

InChIKey=GVZQISBRMKJPOL-FGZHOGPDSA-N

Formula

C22H27Cl2N3O6S

Mass

532.43

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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 - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Aniline or substituted anilines - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Alpha-hydroxy acid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hydroxy acid - Tertiary alcohol - Organic s-nitroso compound - Nitrosothiol-group - Nitrosothiol - Carboxamide group - Secondary carboxylic acid amide - Organic nitroso compound - Monocarboxylic acid or derivatives - Carboxylic acid - Enamine - Sulfenyl compound - Organochloride - Alcohol - Organosulfur compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Amine - Organohalogen compound - 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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