Compound Identification
SMILES
OC1=CC=C(C[C@H](NC(=O)C2=CC=CC=C2)C(=O)N2CCC3C2C(=O)CN3C(=O)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=PCZPTWFCXMUSSQ-JHUWLELGSA-N
Formula
C29H27N3O5
Mass
497.551
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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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
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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-acylpyrrolidines Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Pyrrolidine-3-ones Tertiary carboxylic acid amides Secondary carboxylic acid amides Ketones Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
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 - Amphetamine or derivatives - Benzoyl - N-acylpyrrolidine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 3-pyrrolidone - Pyrrolidone - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Ketone - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen 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