Compound Identification
SMILES
CC1=NC2=NC=C(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)N=C2C(N)=N1
InChIKey
InChIKey=KVZPLOGARNDWEE-NRFANRHFSA-N
Formula
C29H40N8O5
Mass
580.69
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 Aminobenzamides Pteridines and derivatives Aniline and substituted anilines Benzoyl derivatives Phenylalkylamines Fatty acid esters Secondary alkylarylamines Aminopyrimidines and derivatives Pyrazines Imidolactams Heteroaromatic compounds Carbamate esters Carboxylic acid esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Pteridine - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Aralkylamine - Fatty acid ester - Secondary aliphatic/aromatic amine - Aminopyrimidine - Fatty acyl - Imidolactam - Pyrimidine - Pyrazine - Carbamic acid ester - Heteroaromatic compound - Carboxylic acid ester - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Secondary amine - Azacycle - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Primary amine - 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