Structure Information
Structure

Compound Identification

SMILES

CC1=C(OC(=O)C(C)(C)C)C=CC(=C1)S(=O)(=O)NC1=C(C=CC(Cl)=C1)C(=O)NCCC(O)=O

InChIKey

InChIKey=QOYRSHOCOKOSPK-UHFFFAOYSA-N

Formula

C22H25ClN2O7S

Mass

496.96

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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 - Phenol ester - Benzenesulfonamide - Sulfanilide - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzenesulfonyl group - Benzamide - Benzoyl - Phenoxy compound - Halobenzene - Toluene - Chlorobenzene - Benzenoid - Dicarboxylic acid or derivatives - Organosulfonic acid amide - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organochloride - 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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