Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(CSC1=CC=C(Cl)C=C1)N1C(=O)N2CC=CC(N2C1=O)C(=O)NCC1=C(C)N=C(N)C=C1

InChIKey

InChIKey=KRQCEDRNKDJZOG-UHFFFAOYSA-N

Formula

C24H25ClN6O5S

Mass

545.01

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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

Alpha amino acid esters

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alpha-amino acid ester - Triazolopyridazine - Aryl thioether - Thiophenol ether - Aminopyridine - Chlorobenzene - Methylpyridine - Halobenzene - Urazole - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridazine - Pyridine - Benzenoid - Imidolactam - 1,2,4-triazole - Azole - Methyl ester - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Thioether - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.

External Descriptors

Not available

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