Compound Identification
SMILES
OC(=O)CNC(=O)C1=C(O)C2=C(C3=C(S2)C=C(O)C=C3)C(Cl)=N1
InChIKey
InChIKey=UDESJBUSBDRUOI-UHFFFAOYSA-N
Formula
C14H9ClN2O5S
Mass
352.75
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
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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
1-benzothiophenes Thienopyridines Pyridinecarboxylic acids and derivatives 2-heteroaryl carboxamides 1-hydroxy-2-unsubstituted benzenoids 2-halopyridines Hydroxypyridines Aryl chlorides Vinylogous acids Heteroaromatic compounds Thiophenes Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha-amino acid - Thienopyridine - Pyridine carboxylic acid or derivatives - 1-benzothiophene - Benzothiophene - 2-heteroaryl carboxamide - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Hydroxypyridine - 2-halopyridine - Aryl chloride - Pyridine - Aryl halide - Benzenoid - Vinylogous acid - Heteroaromatic compound - Thiophene - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - 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