Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCCCCCCCCCCN(C(CC(=O)NC1=CC=CC(=C1)C(=O)NC1=NN(C(=O)C1N=NC1=CC=C(OC)C=C1)C1=C(Cl)C=C(Cl)C=C1Cl)C(O)=O)C(=O)C(C)C

InChIKey

InChIKey=ZSZZBTFRBZAVHV-UHFFFAOYSA-N

Formula

C49H64Cl3N7O7

Mass

969.44

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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 heteromonocyclic compounds

Substituents

Asparagine or derivatives - Acylaminobenzoic acid or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Benzoic acid or derivatives - Methoxyaniline - Anilide - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Benzoyl - N-arylamide - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Benzenoid - Fatty amide - Fatty acyl - Monocyclic benzene moiety - Pyrazolinone - Pyrazoline - Tertiary carboxylic acid amide - Carboxylic acid amidrazone - Amino acid - Azo compound - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Organohalogen compound - Organochloride - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic 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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