Structure Information
Structure

Compound Identification

SMILES

ClC1=CC=C(SC2=C(C=CC=N2)C(=O)NC2(CCNCC2)C(=O)N2CCCN(CC2)C(=O)C2=CC=CS2)C=C1

InChIKey

InChIKey=WGCDJPQCGVPJEL-UHFFFAOYSA-N

Formula

C28H30ClN5O3S2

Mass

584.15

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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

N-acyl-alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - Diarylthioether - Nicotinamide - Piperidinecarboxamide - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Aryl thioether - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Thiophenol ether - 1,4-diazepane - Chlorobenzene - Diazepane - Halobenzene - Vinylogous thioester - Benzenoid - Aryl halide - Monocyclic benzene moiety - Pyridine - Aryl chloride - Piperidine - Thiophene - Tertiary carboxylic acid amide - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Thioether - Azacycle - Secondary amine - Sulfenyl compound - Secondary aliphatic amine - Hydrocarbon derivative - Organosulfur compound - Amine - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.

External Descriptors

Not available

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