Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC([C@@H](CC(=O)NCC2=CC=CO2)NS(=O)(=O)C2=CC=C(C)C=C2)=C1OC

InChIKey

InChIKey=WWQBJRCSAIQNRC-HXUWFJFHSA-N

Formula

C23H26N2O6S

Mass

458.53

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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 heteromonocyclic compounds

Substituents

P-toluenesulfonamide - Beta amino acid or derivatives - Benzenesulfonamide - O-dimethoxybenzene - Dimethoxybenzene - Tosyl compound - Benzenesulfonyl group - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Fatty amide - Organosulfonic acid amide - Fatty acyl - Benzenoid - Sulfonyl - Aminosulfonyl compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Furan - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Ether - Organoheterocyclic compound - Oxacycle - Organonitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic 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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