Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)NC(=O)[C@@H]1C[C@@H](CCN1C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(N)=O)NC(=O)OCC1=CC=CC=C1)SC1=CC=CC=C1

InChIKey

InChIKey=MAABPPCRRDNNSY-ISBPOBPSSA-N

Formula

C38H49N5O6S

Mass

703.9

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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 - Alpha-amino acid amide - Phenylbutylamine - Amphetamine or derivatives - Benzyloxycarbonyl - Piperidinecarboxamide - 2-piperidinecarboxamide - Aryl thioether - Thiophenol ether - Aralkylamine - Alkylarylthioether - N-acyl-amine - Fatty acyl - Benzenoid - Piperidine - Fatty amide - Monocyclic benzene moiety - Carbamic acid ester - 1,2-aminoalcohol - Carboxamide group - Carbonic acid derivative - Tertiary aliphatic amine - Primary carboxylic acid amide - Secondary alcohol - Secondary carboxylic acid amide - Tertiary amine - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Carbonyl group - Amine - Organic oxygen compound - Organopnictogen compound - Organic oxide - 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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