Structure Information
Structure

Compound Identification

SMILES

CC(C)[NH2+][C@H](CC(=O)NC1=CC=C(C=C1)[N+]([O-])=O)C([O-])=O

InChIKey

InChIKey=VBEHQASEEGNKET-LLVKDONJSA-N

Formula

C13H17N3O5

Mass

295.295

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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

Aromatic homomonocyclic compounds

Substituents

Asparagine or derivatives - Alpha-amino acid - D-alpha-amino acid - Nitrobenzene - Anilide - Nitroaromatic compound - N-arylamide - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Quaternary ammonium salt - Carboxamide group - Carboxylic acid salt - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid - Organic oxoazanium - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic nitrogen compound - Organic salt - Organic zwitterion - Organooxygen compound - Organic oxygen 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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