Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(C=NC2=CC=C(C=C2)C(=O)NN2C(=O)C(CNC3=CC=CC=C3)C(=O)N(C2=S)C2=CC=C(Cl)C=C2)=C1

InChIKey

InChIKey=ZMYSDIWXKNRUEJ-UHFFFAOYSA-N

Formula

C32H26ClN5O4S

Mass

612.1

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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 - Thiobarbiturate - Benzoic acid or derivatives - Phenol ether - Phenoxy compound - Benzoyl - Anisole - Aniline or substituted anilines - Phenylalkylamine - Methoxybenzene - Chlorobenzene - Alkyl aryl ether - Halobenzene - Secondary aliphatic/aromatic amine - 1,3-diazinane - Benzenoid - 1,3-dicarbonyl compound - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Thiosemicarbazide - Carboxylic acid hydrazide - Shiff base - Aldimine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Ether - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Imine - Organohalogen compound - Organochloride - 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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