Structure Information
Structure

Compound Identification

SMILES

CN1CC[C@](C1)(NC(=O)C1=CC=C(Br)S1)C(=O)NC1=CC(C)=C(C=C1)N1CCOCC1=N

InChIKey

InChIKey=NVHPHKGOXHBNTR-JOCHJYFZSA-N

Formula

C22H26BrN5O3S

Mass

520.45

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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

N-acyl-alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - Phenylmorpholine - Anilide - Diaminotoluene - 2-heteroaryl carboxamide - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-3-carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - N-arylamide - Toluene - 2,5-disubstituted thiophene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Morpholine - Oxazinane - N-alkylpyrrolidine - Imidolactam - Benzenoid - Heteroaromatic compound - Pyrrolidine - Thiophene - Tertiary amine - Secondary carboxylic acid amide - Tertiary aliphatic amine - Carboxamide group - Carboxylic acid amidine - Organoheterocyclic compound - Azacycle - Oxacycle - Dialkyl ether - Ether - Amidine - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - Organic oxide - Carbonyl group - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.

External Descriptors

Not available

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