Structure Information
Structure

Compound Identification

SMILES

OCCN(C(=O)CCN1C(=S)SC(=CC2=CC=CC=C2Cl)C1=O)C1=CC=CC=C1

InChIKey

InChIKey=UTENHOIGZLYNHW-UHFFFAOYSA-N

Formula

C21H19ClN2O3S2

Mass

446.96

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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 - Anilide - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Thiazolidinethione - Benzenoid - Cyclic dithiocarbamic acid ester - Tertiary carboxylic acid amide - Thiazolidine - Dithiocarbamic acid ester - Carboxamide group - Alkanolamine - Azacycle - Organoheterocyclic compound - Alcohol - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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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