Structure Information
Structure

Compound Identification

SMILES

CC(=O)N[C@H]1[C@@H](OC[C@@H](NS(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O)C(=O)NCC2=CC=CC=C2)O[C@H](COCC2=CC=CC=C2)[C@H](OCC2=CC=CC=C2)[C@@H]1OCC1=CC=CC=C1

InChIKey

InChIKey=ZOPFBNRVFYSZIV-QSDHWKGCSA-N

Formula

C45H48N4O11S

Mass

852.96

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbohydrates and carbohydrate conjugates

Intermediate Tree Nodes

Aminosaccharides

Direct Parent

N-acyl-alpha-hexosamines

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

N-acyl-alpha-hexosamine - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - Alpha-amino acid amide - O-glycosyl compound - Glycosyl compound - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Benzenesulfonamide - Benzylether - Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Fatty acyl - Oxane - Organosulfonic acid amide - Monosaccharide - Benzenoid - Monocyclic benzene moiety - Acetamide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - C-nitro compound - Organic nitro compound - Carboxamide group - Secondary carboxylic acid amide - Acetal - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organic zwitterion - Organosulfur compound - Organonitrogen compound - Organic salt - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moiety in which the oxygen atom is replaced by an n-acyl group.

External Descriptors

Not available

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