Structure Information
Structure

Compound Identification

SMILES

CC1=NC(SCC(=O)NC2(CCNCC2)C(=O)NCCNC(=O)C2=CC=C(Cl)C=C2)=NC=C1

InChIKey

InChIKey=ZZCQDUKIUBRSLA-UHFFFAOYSA-N

Formula

C22H27ClN6O3S

Mass

491.01

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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 - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Piperidinecarboxamide - Aryl thioether - Benzoyl - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Piperidine - Pyrimidine - Benzenoid - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Sulfenyl compound - Organoheterocyclic compound - Thioether - Secondary amine - Secondary aliphatic amine - Azacycle - Amine - Organohalogen compound - Hydrocarbon derivative - Organochloride - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur 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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