Compound Identification
SMILES
NC1=NC=C(C=C1)C1=NC(=CO1)C(=O)NC1CCSC1=O
InChIKey
InChIKey=WMEWOBNOJFZPDT-UHFFFAOYSA-N
Formula
C13H12N4O3S
Mass
304.32
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
2-heteroaryl carboxamides 2,4-disubstituted oxazoles Aminopyridines and derivatives Imidolactams Primary aromatic amines Thiolanes Heteroaromatic compounds Carbothioic S-lactones Thioesters Thiolactones Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - 2-heteroaryl carboxamide - 2,4-disubstituted 1,3-oxazole - Aminopyridine - Primary aromatic amine - Pyridine - Imidolactam - Azole - Heteroaromatic compound - Oxazole - Carbothioic s-lactone - Thiolane - Carboxamide group - Thiolactone - Thiocarboxylic acid ester - Secondary carboxylic acid amide - Oxacycle - Azacycle - Organoheterocyclic compound - Thiocarboxylic acid or derivatives - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Primary amine - Amine - Organic oxygen 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