Structure Information
Structure

Compound Identification

SMILES

CC(=O)N[C@@H](CC(=O)N1CCN(CC1)S(=O)(=O)C1=CC=CC(=C1)[N+]([O-])=O)C1=CC=C(C)C=C1

InChIKey

InChIKey=LEMUIFAEGWSAAX-NRFANRHFSA-N

Formula

C22H26N4O6S

Mass

474.53

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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

Direct Parent

Beta amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Beta amino acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Toluene - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Acetamide - Sulfonyl - Tertiary carboxylic acid amide - Tertiary amine - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic zwitterion - Organic salt - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

External Descriptors

Not available

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