Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(CCN(CCC(=O)NC2=NN=C(S2)C2=CC=C(Br)C=C2)C(=O)C2=CC(Cl)=C(Cl)C=C2)C=C1

InChIKey

InChIKey=RIABIZCCYMHVRU-UHFFFAOYSA-N

Formula

C28H25BrCl2N4O4S

Mass

664.4

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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 - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Benzoic acid or derivatives - Benzamide - Methoxybenzene - 1,2-dichlorobenzene - N-arylamide - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Bromobenzene - Halobenzene - Alkyl aryl ether - Chlorobenzene - Aryl halide - Aryl chloride - Benzenoid - Aryl bromide - Monocyclic benzene moiety - Azole - Thiadiazole - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Ether - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Carbonyl group - 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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