Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)CCNC(=O)C1=CC(=CN=C1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCC1=CC=C(F)C=C1

InChIKey

InChIKey=DQNWHBSWDDTRBV-IBGZPJMESA-N

Formula

C24H26FN3O7S

Mass

519.54

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