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Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=LGTGUPPUIQQLBP-UHFFFAOYSA-N

Formula

C21H33N3O4S

Mass

423.57

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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

Alanine and derivatives

Alternative Parents

Molecular Framework

Not available

Substituents

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

Description

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