Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(NC(=O)C(CC(N)=O)NC(=O)N(CCCl)N=O)C=C1

InChIKey

InChIKey=FXHACGNUHGNCMD-UHFFFAOYSA-N

Formula

C14H18ClN5O4

Mass

355.78

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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

Asparagine and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Asparagine or derivatives - N-carbamoyl-alpha-amino acid or derivatives - Alpha-amino acid amide - Anilide - N-arylamide - Toluene - Fatty acyl - Benzenoid - Nitrosourea - Fatty amide - Monocyclic benzene moiety - Nitrosamide - Semicarbazide - Organic n-nitroso compound - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carbonic acid derivative - Carboxamide group - Organic nitroso compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound

Description

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