Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@@H](CCC(=O)OCC1=CC=CC=C1)CC(=O)N[C@@H](COCC1=CC=CC=C1)CC(=O)OCC(Cl)(Cl)Cl)C(=O)OCC1=CC=CC=C1

InChIKey

InChIKey=AAKKFDMDCDTJLF-GMTSZFNJSA-N

Formula

C42H50Cl3N3O11

Mass

879.22

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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 - Alpha-amino acid ester - Beta amino acid or derivatives - Benzyloxycarbonyl - Benzylether - Tricarboxylic acid or derivatives - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Fatty amide - N-acyl-amine - Benzenoid - Carbamic acid ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Dialkyl ether - Ether - Organochloride - Alkyl halide - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organohalogen compound - 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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