Compound Identification
SMILES
COC(=O)C(CC1=N\C(=N/NC2=CC=C(Br)C=C2)N=C1N=NC1=CC=C(Br)C=C1)NC(C)=O
InChIKey
InChIKey=JHCVBMZVOOBEBK-GMQRMPTFSA-N
Formula
C21H19Br2N7O3
Mass
577.237
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 Amino acids and derivatives
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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
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids and derivatives
Alternative Parents
Alpha amino acid esters Phenylhydrazines Imidazolyl carboxylic acids and derivatives Fatty acid esters Bromobenzenes Aryl bromides Acetamides Methyl esters Secondary carboxylic acid amides Azo compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Hydrazones Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Imidazolyl carboxylic acid derivative - Phenylhydrazine - Halobenzene - Fatty acid ester - Bromobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Methyl ester - Acetamide - Secondary carboxylic acid amide - Azo compound - Carboxylic acid ester - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrazone - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organobromide - Organic nitrogen compound - Organohalogen compound - 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