Compound Identification
SMILES
CCCOC(=O)C1=CC=CC=C1C1=CC=C(O1)C=NNC(=O)C(NC(=O)C1=CC=CC=C1Cl)C(C)C
InChIKey
InChIKey=UOWNPDRQOQQDHJ-UHFFFAOYSA-N
Formula
C27H28ClN3O5
Mass
509.99
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 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
Valine and derivatives N-acyl-alpha amino acids and derivatives 2-halobenzoic acids and derivatives Benzoic acid esters Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous halides Furans Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Organochlorides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Valine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Benzoate ester - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Heteroaromatic compound - Furan - Vinylogous halide - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Aromatic heteromonocyclic 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