Structure Information
Structure

Compound Identification

SMILES

OC(=O)CCNC(=O)C1=CC=C(CN(C(=O)NC2=NC3=C(S2)C=C(Br)C(=C3)C(F)(F)F)C2=CC=C(C=C2)C2CCCCC2)C=C1

InChIKey

InChIKey=NUACETRCSHNHJQ-UHFFFAOYSA-N

Formula

C32H30BrF3N4O4S

Mass

703.58

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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 heteropolycyclic compounds

Substituents

Beta amino acid or derivatives - N-phenylurea - Benzamide - Benzoic acid or derivatives - 1,3-benzothiazole - Benzoyl - Aryl bromide - Benzenoid - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Thiazole - Azole - Urea - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonyl group - Organic nitrogen compound - Organobromide - Alkyl halide - Organofluoride - Alkyl fluoride - Organonitrogen compound - Organooxygen compound - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic 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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