Structure Information
Structure

Compound Identification

SMILES

NC1NC(=O)C2N=CN(COCCOC(=O)CCCO[N+]([O-])=O)C2=C1

InChIKey

InChIKey=MKFIHBCCYUXDRE-UHFFFAOYSA-N

Formula

C13H19N5O7

Mass

357.323

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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

Direct Parent

Alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Alpha-amino acid or derivatives - Imidazopyridine - Fatty acid ester - Fatty acyl - Alkyl nitrate - 2-imidazoline - Organic nitrate - Carboxamide group - Carboxylic acid ester - Organic nitro compound - Lactam - Organic nitric acid or derivatives - Secondary carboxylic acid amide - Amidine - Carboxylic acid amidine - Azacycle - Formamidine - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Amine - Organic zwitterion - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.

External Descriptors

Not available

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