Compound Identification
SMILES
CC(C)NC(=O)C(\NC(=O)C1=CC=CC=C1)=C1\[C@@H](OCC2=CC=CC=C2)[C@H](OCC2=CC=CC=C2)[C@@H]2CN12
InChIKey
InChIKey=XIXMTBZHWPWIDV-UNKKGIDBSA-N
Formula
C31H33N3O4
Mass
511.622
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 Alpha amino acid amides Benzylethers Benzoyl derivatives Piperidines N-alkylpyrrolidines Vinylogous amides N-vinylaziridines Secondary carboxylic acid amides Trialkylamines Azacyclic compounds Enamines Dialkyl ethers Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Benzylether - Benzoyl - Piperidine - N-alkylpyrrolidine - N-vinylaziridine - Vinylaziridine - Pyrrolidine - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Carboxylic acid derivative - Azacycle - Aziridine - Ether - Organoheterocyclic compound - Enamine - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen 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