Structure Information
Structure

Compound Identification

SMILES

C[C@@H](NC(=O)CNC(=O)NC1=CC=C(C=C1)C(N)=N)C1=CC(Br)=CC=C1

InChIKey

InChIKey=YSFQAQOMUCVTNV-LLVKDONJSA-N

Formula

C18H20BrN5O2

Mass

418.295

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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

N-carbamoyl-alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

N-carbamoyl-alpha-amino acid or derivatives - Alpha-amino acid amide - N-phenylurea - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Urea - Secondary carboxylic acid amide - Carbonic acid derivative - Amidine - Carboximidamide - Carboxylic acid amidine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as n-carbamoyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an carbamoyl group at its terminal nitrogen atom.

External Descriptors

Not available

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