Compound Identification
SMILES
OC(=O)CNC(=O)C1=NC=C2C(ON=C2C2=CC=CS2)=C1O
InChIKey
InChIKey=PQNRDFYSXZZYNJ-UHFFFAOYSA-N
Formula
C13H9N3O5S
Mass
319.29
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
-
Level 6
Alpha amino acids and derivatives
-
Level 7
N-acyl-alpha amino acids and derivatives
- Level 8 N-acyl-alpha amino acids
-
Level 7
N-acyl-alpha amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
-
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 - N-acyl-alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids
Alternative Parents
Isoxazolopyridines Pyridinecarboxylic acids and derivatives 2-heteroaryl carboxamides Hydroxypyridines Vinylogous acids Heteroaromatic compounds Thiophenes Isoxazoles Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha-amino acid - 1,2-oxazolopyridine - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Hydroxypyridine - Pyridine - Azole - Isoxazole - Thiophene - Vinylogous acid - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available