Structure Information
Structure

Compound Identification

SMILES

C[C@H](N1C(=O)C2CC=CCC2C1=O)C(=O)NC1=NN=C(SCC2=CC=C(Cl)C=C2)S1

InChIKey

InChIKey=IEHCLEQJDMHASW-QGLTVNCISA-N

Formula

C20H19ClN4O3S2

Mass

462.97

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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 - Alpha amino acids and derivatives

Direct Parent

Alanine and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alanine or derivatives - Isoindolone - Isoindoline - Isoindole - Isoindole or derivatives - Aryl thioether - N-arylamide - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Benzenoid - Carboxylic acid imide - Pyrrolidine - Thiadiazole - Azole - Heteroaromatic compound - Dicarboximide - Carboxamide group - Lactam - Secondary carboxylic acid amide - Organoheterocyclic compound - Sulfenyl compound - Thioether - Azacycle - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as alanine and derivatives. These are compounds containing alanine or a derivative thereof resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

External Descriptors

Not available

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