Structure Information
Structure

Compound Identification

SMILES

OC(=O)[C@H](CC1=CC=C(C=C1)N1C(=NC2=C1N=CC=C2)C1COCCN1)NC1=C(Br)C(=O)C11CCCCC1

InChIKey

InChIKey=RWWRKXWQTNULEA-BGERDNNASA-N

Formula

C28H30BrN5O4

Mass

580.483

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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 heteropolycyclic compounds

Substituents

Phenylalanine or derivatives - 3-phenylpropanoic-acid - 1-phenylimidazole - Alpha-amino acid - Amphetamine or derivatives - L-alpha-amino acid - Imidazopyridine - Aralkylamine - Pyridine - Monocyclic benzene moiety - Oxazinane - Benzenoid - N-substituted imidazole - Morpholine - Alpha-haloketone - Azole - Vinylogous amide - Imidazole - Heteroaromatic compound - Amino acid - Ketone - Carboxylic acid - Dialkyl ether - Secondary aliphatic amine - Enamine - Ether - Oxacycle - Azacycle - Bromoalkene - Monocarboxylic acid or derivatives - Haloalkene - Organoheterocyclic compound - Secondary amine - Vinyl bromide - Vinyl halide - Organic nitrogen compound - Amine - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic 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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