Structure Information
Structure

Compound Identification

SMILES

CC1(CSC2=NN=NN2C2=CC=C(Cl)C=C2)SC2CC(=O)N2C1C(=O)OCC1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=AORMIRDFECWPRM-UHFFFAOYSA-N

Formula

C22H19ClN6O5S2

Mass

547.0

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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 - Phenyltetrazole - Benzyloxycarbonyl - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Penam - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Beta-lactam - Thiazolidine - Tetrazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Organic nitro compound - Azetidine - Carboxamide group - Carboxylic acid ester - Lactam - C-nitro compound - Azacycle - Organoheterocyclic compound - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Hemithioaminal - Thioether - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic salt - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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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