Structure Information
Structure

Compound Identification

SMILES

COC1=CC2=C(O[C@@]3(C)[C@H]([C@@H]2NC(=S)N3C2=CC=C(Br)C=C2)C(=O)NC2=CC=C(Cl)C=C2)C=C1

InChIKey

InChIKey=MYHBSMIZGCQGHM-RQTOMXEWSA-N

Formula

C25H21BrClN3O3S

Mass

558.88

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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 heteropolycyclic compounds

Substituents

Beta amino acid or derivatives - Chromane - Benzopyran - N-phenylthiourea - 1-benzopyran - Anilide - Anisole - Phenol ether - N-arylamide - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Halobenzene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Aryl bromide - 1,3-diazinane - Secondary carboxylic acid amide - Thiourea - Carboxamide group - Oxacycle - Organoheterocyclic compound - Ether - Azacycle - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic 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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