Structure Information
Structure

Compound Identification

SMILES

OC(=O)CC(NC=CC1=CC(=NC(C1)C(O)=O)C(O)=O)C(O)=O

InChIKey

InChIKey=OSKVCLRYEQLCLK-UHFFFAOYSA-N

Formula

C13H14N2O8

Mass

326.261

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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

Aspartic acid and derivatives

Alternative Parents

Molecular Framework

Aliphatic heteromonocyclic compounds

Substituents

Aspartic acid or derivatives - Tetracarboxylic acid or derivatives - Alpha-amino acid - Dihydropyridinecarboxylic acid derivative - Dihydropyridine - Hydropyridine - Ketimine - Carboxylic acid - Secondary aliphatic amine - Enamine - Allylamine - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carbonyl group - Amine - Imine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aliphatic heteromonocyclic compound

Description

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