Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)NC(=O)C1=CC=CC=C1S(=O)C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(N)=O)NC(=O)C1=NC2=CC=CC=C2C=C1

InChIKey

InChIKey=OSCUPLHSJJMKQI-NQKMHXLNSA-N

Formula

C35H39N5O6S

Mass

657.79

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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 heteropolycyclic compounds

Substituents

Asparagine or derivatives - N-acyl-alpha amino acid or derivatives - Quinoline-2-carboxamide - Alpha-amino acid amide - Amphetamine or derivatives - O-sulfanylbenzoic acid or derivatives - Quinoline - Phenyl sulfoxide - Benzamide - Benzoic acid or derivatives - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Benzoyl - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Fatty acyl - Pyridine - Benzenoid - Heteroaromatic compound - Sulfoxide - Primary carboxylic acid amide - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Sulfinyl compound - Organoheterocyclic compound - Azacycle - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Alcohol - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic 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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