Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)CNC(=O)CNC(=O)CSC1=NC=C(Br)N1C1=CC=C(C#N)C2=CC=CC=C12

InChIKey

InChIKey=OJCVJAREZNBHGD-UHFFFAOYSA-N

Formula

C22H20BrN5O4S

Mass

530.4

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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

Not available

Direct Parent

Peptides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alpha peptide - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Naphthalene - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - 1,2,5-trisubstituted-imidazole - Aryl thioether - Imidazolyl carboxylic acid derivative - Trisubstituted imidazole - Alkylarylthioether - Benzenoid - Aryl bromide - N-substituted imidazole - Aryl halide - Imidazole - Azole - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Monocarboxylic acid or derivatives - Thioether - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.

External Descriptors

Not available

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