Compound Identification
SMILES
OC(=O)[C@@H](Cc1nc2cc(Cl)ccc2[nH]1)NC(=O)c1cc2ccccc2s1
InChIKey
InChIKey=QPRWMBFHSNDNEZ-CQSZACIVSA-N
Formula
C19H14ClN3O3S
Mass
399.85
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 Benzimidazoles Thiophene carboxamides 2,3,5-trisubstituted thiophenes 2-heteroaryl carboxamides Aryl chlorides Benzenoids Imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha-amino acid - Benzimidazole - 1-benzothiophene - Benzothiophene - 2-heteroaryl carboxamide - 2,3,5-trisubstituted thiophene - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Aryl chloride - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Thiophene - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen 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