Compound Identification
SMILES
COC(=O)[C@@H](CC[S@@](=O)C1=CC=CC=C1)NC(=O)C1=CC=C(O)C=C1
InChIKey
InChIKey=VSNZUSKMMMFOJN-PUAOIOHZSA-N
Formula
C18H19NO5S
Mass
361.41
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 Alpha amino acid esters Phenyl sulfoxides Benzoyl derivatives Fatty acid esters 1-hydroxy-2-unsubstituted benzenoids Methyl esters Sulfoxides Secondary carboxylic acid amides Sulfinyl compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenyl sulfoxide - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty acid ester - Fatty acyl - Methyl ester - Carboxamide group - Carboxylic acid ester - Sulfoxide - Secondary carboxylic acid amide - Carboxylic acid derivative - Sulfinyl compound - Monocarboxylic acid or derivatives - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - Organonitrogen 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