Structure Information
Structure

Compound Identification

SMILES

C1CCC(CC1)NC1CCCCC1.NC(=O)CC(NSC1=CC=CC=C1[N+]([O-])=O)C(O)=O

InChIKey

InChIKey=VAEHYJPYTMRQNC-UHFFFAOYSA-N

Formula

C22H34N4O5S

Mass

466.6

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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

Asparagine and derivatives

Alternative Parents

Molecular Framework

Not available

Substituents

Asparagine or derivatives - Nitrobenzene - Nitroaromatic compound - Cyclohexylamine - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Carboxamide group - Organic nitro compound - C-nitro compound - Primary carboxylic acid amide - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Organosulfenic acid amide - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Carbonyl group - Organic salt - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as asparagine and derivatives. These are compounds containing asparagine or a derivative thereof resulting from reaction of asparagine 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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