Compound Identification
SMILES
C[C@@H](O)[C@H](NC(=O)C1=CC=C(C=C1)C#CC1=CC=C(CNCC2=CC(O)=C(O)C=C2)C=C1)C(=O)NO
InChIKey
InChIKey=RLUXGBMERDIQDD-NSYGIPOTSA-N
Formula
C27H27N3O6
Mass
489.528
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 Phenylmethylamines Catechols Benzylamines Benzoyl derivatives Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Secondary carboxylic acid amides Secondary alcohols Hydroxamic acids Dialkylamines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Benzoyl - Benzylamine - Catechol - Phenylmethylamine - Aralkylamine - Phenol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Secondary alcohol - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Hydroxamic acid - Secondary amine - Secondary aliphatic amine - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Alcohol - Organonitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - 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