Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)CC1CCN(CC1)C(=O)C(C)(C)C(CC)NC(=O)C1=C(F)C=C(C=C1)C(=N)N1CCSC1

InChIKey

InChIKey=XEMTYGFOVBXDLG-UHFFFAOYSA-N

Formula

C27H39FN4O4S

Mass

534.69

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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 - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - N-acyl-piperidine - Benzoic acid or derivatives - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Piperidine - Vinylogous halide - Tertiary carboxylic acid amide - Thiazolidine - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Thioether - Hemithioaminal - Carboximidamide - Dialkylthioether - Carboxylic acid amidine - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Amidine - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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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