Structure Information
Structure

Compound Identification

SMILES

Cl.CC1=CC(Cl)=C(OCCOC2=CC=C(C=C2)C(=O)N[C@H]2CCNCC2C(=O)N(CC2=CC=CC=C2F)C2CC2)C(Cl)=C1

InChIKey

InChIKey=BLOUTBJDNPQUNA-PQSWLCTMSA-N

Formula

C32H35Cl3FN3O4

Mass

651.0

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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 - Benzamide - 3-piperidinecarboxamide - Benzoic acid or derivatives - Piperidinecarboxamide - Phenoxy compound - Phenol ether - Benzoyl - 1,3-dichlorobenzene - Alkyl aryl ether - Halobenzene - Fluorobenzene - Toluene - Chlorobenzene - Piperidine - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aryl chloride - Tertiary carboxylic acid amide - Tertiary amine - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Secondary amine - Ether - Organohalogen compound - Carbonyl group - Organochloride - Organic nitrogen compound - Amine - Hydrochloride - Organofluoride - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organooxygen 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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