Compound Identification
SMILES
COC(=O)CNC(=O)C1=NN2C(=N1)C(=O)NC1=C2C=CC(Cl)=C1
InChIKey
InChIKey=DDSXWSYMHKYLIG-UHFFFAOYSA-N
Formula
C13H10ClN5O4
Mass
335.7
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
-
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 Quinoxalines Triazolopyrazines 2-heteroaryl carboxamides Pyrazines Aryl chlorides Benzenoids Triazoles Heteroaromatic compounds Methyl esters Lactams Secondary carboxylic acid amides Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organochlorides Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Quinoxaline - Triazolopyrazine - 2-heteroaryl carboxamide - Aryl chloride - Aryl halide - Pyrazine - Benzenoid - Methyl ester - Heteroaromatic compound - 1,2,4-triazole - Triazole - Azole - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic 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