Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(NC(=O)CCN2CCN(CC2)S(=O)(=O)C2=CC=C(C=C2)C(C)C)C=C1

InChIKey

InChIKey=URKODVLFLJDXRJ-UHFFFAOYSA-N

Formula

C23H31N3O4S

Mass

445.58

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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

Beta amino acid or derivatives - Benzenesulfonamide - Phenylpropane - Cumene - Anilide - Methoxyaniline - Benzenesulfonyl group - Methoxybenzene - Phenol ether - N-arylamide - Phenoxy compound - Anisole - N-alkylpiperazine - Alkyl aryl ether - Piperazine - Organosulfonic acid amide - Benzenoid - 1,4-diazinane - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - Tertiary amine - Carboxamide group - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Amine - Organic nitrogen 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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