Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(\C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)C2=CC=C(Cl)C=C2)C(Br)=C1

InChIKey

InChIKey=CHKJBEXDMDJNPG-NSTHGIQOSA-N

Formula

C20H21BrClN3O5S

Mass

530.82

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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 - Alpha amino acids and derivatives

Direct Parent

Proline and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Proline or derivatives - Alpha-amino acid amide - Benzenesulfonamide - Dimethoxybenzene - O-dimethoxybenzene - Benzenesulfonyl group - Anisole - Phenoxy compound - Phenol ether - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Methoxybenzene - Halobenzene - Chlorobenzene - Bromobenzene - Alkyl aryl ether - Benzenoid - Organosulfonic acid amide - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Aryl bromide - Sulfonyl - Organosulfonic acid or derivatives - Pyrrolidine - Organic sulfonic acid or derivatives - Organoheterocyclic compound - Azacycle - Ether - Hydrocarbon derivative - Organohalogen compound - Carbonyl group - Organobromide - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Organosulfur compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

External Descriptors

Not available

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