Structure Information
Structure

Compound Identification

SMILES

CC1=CC(Cl)=C(OCCCC2=CC=C(C[C@@H](CN)C(=O)N(CC3=C(Cl)C=CC(CCCC#N)=C3)C3CC3)C=C2)C(Cl)=C1

InChIKey

InChIKey=BOGNZMNIJKBCJR-MHZLTWQESA-N

Formula

C34H38Cl3N3O2

Mass

627.05

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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 - Phenoxy compound - 1,3-dichlorobenzene - Phenol ether - Alkyl aryl ether - Aralkylamine - Toluene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Tertiary amine - Ether - Nitrile - Carbonitrile - Organonitrogen compound - Primary aliphatic amine - Organooxygen compound - Organohalogen compound - Primary amine - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organochloride - 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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