Compound Identification
SMILES
CC(C)(C)OC(=O)COC1CCN(CC1)C(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)C1=CC=C(C=C1)C(\N)=N\O
InChIKey
InChIKey=JQXYJLVSNOOIGZ-QHCPKHFHSA-N
Formula
C28H36N4O7
Mass
540.617
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
N-acyl-alpha amino acids and derivatives Alpha amino acid amides Amphetamines and derivatives N-acylpiperidines Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Tertiary carboxylic acid amides Amidoximes Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Amphetamine or derivatives - N-acyl-piperidine - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Piperidine - Amidoxime - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Amidine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen 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