Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(O)C=CC=C1OCCCCNC(=O)[C@H](CC1=CC(Br)=C(C=C1)C1CC(=O)[N+](O)([O-])S1)NC(=O)OCC1=CC=CC=C1

InChIKey

InChIKey=ZBOMBOGVFXIATG-BXXZMZEQSA-N

Formula

C32H34BrN3O10S

Mass

732.6

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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

Phenylalanine and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Phenylalanine or derivatives - Alpha-amino acid amide - O-hydroxybenzoic acid ester - Amphetamine or derivatives - Benzoate ester - Benzyloxycarbonyl - Salicylic acid or derivatives - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Halobenzene - Phenol - Thiazolidinedione - Monocyclic benzene moiety - Fatty acyl - Aryl halide - Benzenoid - Aryl bromide - Fatty amide - Thiazolidine - Vinylogous acid - Methyl ester - Carbamic acid ester - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Azacycle - Organoheterocyclic compound - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organic zwitterion - Organobromide - Organic salt - Organonitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine 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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