Compound Identification
SMILES
[O-]C(=O)CNC(=O)CSC1=C(C#N)C(=CC(=N1)C1=CC=CS1)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=XZWBEFJFPTVWRC-UHFFFAOYSA-M
Formula
C20H13ClN3O3S2
Mass
442.91
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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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
Phenylpyridines 3-pyridinecarbonitriles Alkylarylthioethers Chlorobenzenes Aryl chlorides Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid salts Sulfenyl compounds Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organochlorides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha-amino acid - 4-phenylpyridine - Aryl thioether - 3-pyridinecarbonitrile - Chlorobenzene - Halobenzene - Alkylarylthioether - Monocyclic benzene moiety - Aryl halide - Benzenoid - Aryl chloride - Pyridine - Heteroaromatic compound - Thiophene - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid - Sulfenyl compound - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Thioether - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Cyanide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic anion - Aromatic heteromonocyclic 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