Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)CCNC(=O)C1=CC=CC=C1SC(=O)CCCC[N+]1=CC=CC=C1

InChIKey

InChIKey=ADRZKSYCXPNXBJ-UHFFFAOYSA-O

Formula

C22H27N2O4S

Mass

415.53

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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

Beta amino acid or derivatives - O-sulfanylbenzoic acid or derivatives - Benzamide - Thiophenol ester - Benzoic acid or derivatives - Aryl thioether - Benzoyl - Fatty acyl thioester - Pyridinium - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Thiocarboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Carbothioic s-ester - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Sulfenyl compound - Thiocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organic oxide - Organic cation - 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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