Compound Identification
SMILES
OC(=O)NCC1=CC=CC(=C1)C(=O)NC(CSCC1=CC=CC=C1)C(=O)NCC#N
InChIKey
InChIKey=FKUFHGTUAXOUOV-UHFFFAOYSA-N
Formula
C21H22N4O4S
Mass
426.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzamides
- Level 6 Hippuric acids and derivatives
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Level 5
Benzamides
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Benzamides
Direct Parent
Hippuric acids and derivatives
Alternative Parents
N-acyl-alpha amino acids and derivatives Cysteine and derivatives Alpha amino acid amides Benzoyl derivatives Secondary carboxylic acid amides Carbamic acids Sulfenyl compounds Nitriles Dialkylthioethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Cysteine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Benzoyl - Carbamic acid - Carbamic acid derivative - Carboxamide group - Secondary carboxylic acid amide - Dialkylthioether - Sulfenyl compound - Carboxylic acid derivative - Thioether - Carbonitrile - Nitrile - Cyanide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available