Structure Information
Structure

Compound Identification

SMILES

C[C@]1(COC(=O)C2=CC(Br)=CN2)NC=N[C@@H]([C@@H]1O)C(O)=O

InChIKey

InChIKey=RMRGGLUETWXFCH-HOTUBEGUSA-N

Formula

C12H14BrN3O5

Mass

360.164

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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

Aromatic heteromonocyclic compounds

Substituents

Alpha-amino acid or derivatives - Hydropyrimidine carboxylic acid derivative - Pyrrole-2-carboxylic acid or derivatives - Beta-hydroxy acid - Aryl bromide - Aryl halide - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Hydroxy acid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Secondary alcohol - Amidine - Formamidine - Carboxylic acid amidine - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboximidamide - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Alcohol - Aromatic heteromonocyclic 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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