Compound Identification
SMILES
CC(C)C(NC(=O)C1=CC=CC=C1SSC1=CC=CC=C1C(=O)NC(C(C)C)C(O)=O)C(O)=O
InChIKey
InChIKey=SSVXRJKOBFCRAX-UHFFFAOYSA-N
Formula
C24H28N2O6S2
Mass
504.62
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
- Level 7 Hippuric acids
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Level 6
Hippuric acids and derivatives
-
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 - Hippuric acids and derivatives
Direct Parent
Hippuric acids
Alternative Parents
Valine and derivatives N-acyl-alpha amino acids O-sulfanylbenzoic acids and derivatives Benzoyl derivatives Dicarboxylic acids and derivatives Secondary carboxylic acid amides Organic disulfides Sulfenyl compounds Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Valine or derivatives - Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - O-sulfanylbenzoic acid or derivatives - Benzoyl - Dicarboxylic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Organic disulfide - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available