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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
- Level 5 Peptides
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
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
Alpha amino acid esters N-acyl-alpha amino acids and derivatives Alpha amino acid amides Naphthalenes 1,2,5-trisubstituted imidazoles Imidazolyl carboxylic acids and derivatives Alkylarylthioethers Aryl bromides N-substituted imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Sulfenyl compounds Nitriles Azacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organobromides Carbonyl compounds Organic oxides Hydrocarbon derivatives
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