Structure Information
Structure

Compound Identification

SMILES

C[C@@H](NC(=O)CCCP(O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O)C(O)=O

InChIKey

InChIKey=KBXXIYHMPQZHCH-SECBINFHSA-N

Formula

C13H17N2O8P

Mass

360.259

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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 - N-acyl-alpha amino acids and derivatives

Direct Parent

N-acyl-alpha amino acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

N-acyl-alpha-amino acid - Alanine or derivatives - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Phosphonic acid ester - Benzenoid - Fatty acyl - Organophosphonic acid - Organophosphonic acid derivative - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Carboxamide group - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organopnictogen compound - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organophosphorus compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.

External Descriptors

CHEBI:59565 : N-[4-(4-nitrophenylphospho)butanoyl]alanine - N-acyl-L-alanine

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