Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)[S@](=O)C([C@H](NS(=O)(=O)C1=CC=C(C)C=C1)C1=CC=CC=C1)C(=O)OC(C)(C)C

InChIKey

InChIKey=GVZCCQSJKNMKQT-TUUXUACRSA-N

Formula

C27H31NO5S2

Mass

513.67

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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

P-toluenesulfonamide - Beta amino acid or derivatives - Benzenesulfonamide - Tosyl compound - Phenyl sulfoxide - Benzenesulfonyl group - Fatty acid ester - Toluene - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Carboxylic acid ester - Sulfoxide - Monocarboxylic acid or derivatives - Sulfinyl compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic oxide - 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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