Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@H]1CCCN1C(=O)C1=C[C@@H](NC(=O)C2=C(Br)C=CC(OC)=C2)[C@@H](O)[C@H](O)C1

InChIKey

InChIKey=UWVUUZCGKZDKTK-BRSBDYLESA-N

Formula

C21H25BrN2O7

Mass

497.342

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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 - N-acyl-alpha amino acids and derivatives

Direct Parent

N-acyl-alpha amino acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

N-acyl-alpha-amino acid - Alpha-amino acid ester - Proline or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Pyrrolidine carboxylic acid - Methoxybenzene - Phenol ether - Benzoyl - Anisole - Phenoxy compound - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Bromobenzene - Halobenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Aryl halide - Aryl bromide - Vinylogous halide - Methyl ester - Tertiary carboxylic acid amide - Pyrrolidine - 1,2-diol - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Secondary alcohol - Organoheterocyclic compound - Azacycle - Ether - Monocarboxylic acid or derivatives - Organobromide - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.

External Descriptors

Not available

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