Structure Information
Structure

Compound Identification

SMILES

CN(C1CC1)S(=O)(=O)C1=CN=CC(=C1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCC1=CC=C(F)C=C1

InChIKey

InChIKey=PCTHAMJNXGMNMV-IBGZPJMESA-N

Formula

C22H24FN3O6S2

Mass

509.57

Export to:

JSON SDF CSV

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 - Pyridine-3-sulfonamide - Nicotinamide - Pyridine carboxylic acid or derivatives - Gamma-keto acid - Fluorobenzene - Halobenzene - Keto acid - Benzenoid - Aryl fluoride - Monocyclic benzene moiety - Aryl halide - Pyridine - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carboxamide group - Ketone - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Thioether - Dialkylthioether - Monocarboxylic acid or derivatives - Sulfenyl compound - Carboxylic acid - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur 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

Previous Back Next