Structure Information
Structure

Compound Identification

SMILES

CN1C(CCC2=CC=C(C=C2)C(N)=N)=NC2=C1C=CC(=C2)N(CC1=CC=NC=C1)C(=O)CN1CCC(CC1)NC1=CC=CC=C1Br

InChIKey

InChIKey=AFLUDYMVJBQRPG-UHFFFAOYSA-N

Formula

C36H39BrN8O

Mass

679.667

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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

Alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alpha-amino acid or derivatives - Benzimidazole - 2-bromoaniline - Phenylalkylamine - Aniline or substituted anilines - 4-aminopiperidine - Bromobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Piperidine - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Azole - Imidazole - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Organoheterocyclic compound - Amidine - Azacycle - Carboximidamide - Secondary amine - Carboxylic acid amidine - Carbonyl group - Organic oxide - Organopnictogen compound - Amine - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organobromide - Organic oxygen compound - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.

External Descriptors

Not available

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