Structure Information
Structure

Compound Identification

SMILES

CN(CCC1=CC=C(C=C1)C1=NCCN1)C(=O)CCN(C)S(=O)(=O)C1=CC(=C(Cl)C=C1)[N+]([O-])=O

InChIKey

InChIKey=YTNGMOUREATPFM-UHFFFAOYSA-N

Formula

C22H26ClN5O5S

Mass

507.99

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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 - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Organosulfonic acid amide - Benzenoid - 2-imidazoline - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Aminosulfonyl compound - Carboxamide group - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Azacycle - Carboxylic acid amidine - Organic oxoazanium - Organoheterocyclic compound - Amidine - Organic nitrogen compound - Amine - Organic salt - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic cation - 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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