Structure Information
Structure

Compound Identification

SMILES

CCC(C(=O)N(CCC(=O)NC1=NN=C(S1)C1=CC=C(C=C1)C(F)(F)F)CCC1=CC(OC)=C(OC)C=C1)C1=CC=CC=C1

InChIKey

InChIKey=AMCOLOYMSPUQRU-UHFFFAOYSA-N

Formula

C32H33F3N4O4S

Mass

626.7

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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 - Phenylacetamide - Dimethoxybenzene - Trifluoromethylbenzene - O-dimethoxybenzene - Phenylpropane - Phenol ether - N-arylamide - Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - N-acyl-amine - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Thiadiazole - Azole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Ether - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Organooxygen compound - Alkyl fluoride - 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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