Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=MDKOYYSBQNKYQW-UHFFFAOYSA-O

Formula

C20H24N3O3S

Mass

386.49

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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 - Monocyclic benzene moiety - Benzenoid - Pyridine - Pyridinium - Heteroaromatic compound - Carboxamide group - Carbothioic s-ester - Primary carboxylic acid amide - Secondary carboxylic acid amide - Thiocarboxylic acid ester - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - 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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