Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(CCNC(C(CN(CCC2=CC(OC)=C(OC)C=C2)S(=O)(=O)C2=CC=C(F)C=C2)C(O)=O)C2=CC=C(Cl)C=C2)C=C1

InChIKey

InChIKey=QGQABROFRREBRN-UHFFFAOYSA-N

Formula

C36H40ClFN2O8S

Mass

715.23

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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 homomonocyclic compounds

Substituents

Beta amino acid or derivatives - 3-phenylpropanoic-acid - Benzenesulfonamide - Dimethoxybenzene - O-dimethoxybenzene - Phenethylamine - Benzenesulfonyl group - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Chlorobenzene - Fluorobenzene - Halobenzene - Aralkylamine - Alkyl aryl ether - Benzenoid - Organosulfonic acid amide - Aryl halide - Aryl chloride - Monocyclic benzene moiety - Aryl fluoride - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Amino acid - Secondary amine - Carboxylic acid - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Organofluoride - Amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organochloride - Organohalogen compound - Organic oxide - Aromatic homomonocyclic 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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