Structure Information
Structure

Compound Identification

SMILES

CCCCO[C@@H](CC[C@H]([C@H](NC1=CC=C(SC(C)=O)C=C1)C1=CC=C(F)C=C1)C(=O)N1[C@H](COC1=O)C1=CC=CC=C1)C1=CC=C(F)C=C1

InChIKey

InChIKey=ANAOTVJKJNCCHB-GOFGAPPUSA-N

Formula

C39H40F2N2O5S

Mass

686.81

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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 - Benzylether - Thiophenol ester - Aryl thioether - Aniline or substituted anilines - Phenylalkylamine - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aralkylamine - Aryl halide - Benzenoid - Monocyclic benzene moiety - Oxazolidinone - Aryl fluoride - Dicarboximide - Oxazolidine - Carbamic acid ester - Carbothioic s-ester - Thiocarboxylic acid ester - Secondary amine - Thiocarboxylic acid or derivatives - Oxacycle - Azacycle - Sulfenyl compound - Dialkyl ether - Organoheterocyclic compound - Ether - Organopnictogen compound - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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

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