Compound Identification
SMILES
CC1=CC(C(=O)COC(=O)CNC(=O)C2=CC(C)=CC(C)=C2)=C(C)N1CC1COC2=CC=CC=C2O1
InChIKey
InChIKey=HIMHBVGZJRGTHB-UHFFFAOYSA-N
Formula
C28H30N2O6
Mass
490.556
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
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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
Alpha amino acid esters N-acyl-alpha amino acids and derivatives Benzo-1,4-dioxanes m-Xylenes Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Alpha-acyloxy ketones Substituted pyrroles Para dioxins Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Aldehydes Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Alpha-amino acid ester - Hippuric acid or derivatives - Alpha-amino acid or derivatives - Benzo-1,4-dioxane - Benzodioxane - Aryl ketone - Aryl alkyl ketone - M-xylene - Benzoyl - Xylene - Alpha-acyloxy ketone - Alkyl aryl ether - Substituted pyrrole - Para-dioxin - Vinylogous amide - Pyrrole - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Ketone - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Azacycle - Ether - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Aldehyde - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic heteropolycyclic 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