Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(\NC(C)=O)=C\C1=CN(C2=C1C=C(C=C2)[N+]([O-])=O)S(=O)(=O)C1=CC=C(C)C=C1

InChIKey

InChIKey=NHMFFQAZZOIDEI-GRSHGNNSSA-N

Formula

C21H19N3O7S

Mass

457.46

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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

N-acyl-alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - Tosyl compound - Benzenesulfonamide - Benzenesulfonyl group - Indole - Indole or derivatives - Nitroaromatic compound - Fatty acid ester - Toluene - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Fatty acyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Methyl ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Pyrrole - Enoate ester - Acetamide - Carboxamide group - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic oxoazanium - Monocarboxylic acid or derivatives - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic salt - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.

External Descriptors

Not available

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