Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.CCOC(=O)C[C@H](N)C1=CC(Cl)=CC(Br)=C1O

InChIKey

InChIKey=RXUMPOJZDYEMJZ-FVGYRXGTSA-N

Formula

C18H21BrClNO6S

Mass

494.78

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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

Not available

Substituents

Beta amino acid or derivatives - P-methylbenzenesulfonate - Benzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - 4-halophenol - 2-halophenol - 2-bromophenol - 4-chlorophenol - Bromobenzene - Chlorobenzene - Fatty acid ester - Halobenzene - Aralkylamine - Phenol - Toluene - Benzenoid - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Aryl bromide - Aryl chloride - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Primary aliphatic amine - Organohalogen compound - Carbonyl group - Amine - Organic oxygen compound - Primary amine - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur 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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