Compound Identification
SMILES
COC1=C(CCNC(=O)[C@H](CCCCCC(C)=O)NC(=O)C2=CC=CC=C2)C=C2C(NC3=CC(Cl)=C(F)C=C3)=NC=NC2=C1
InChIKey
InChIKey=NUESZCZVPOJLAS-NDEPHWFRSA-N
Formula
C33H35ClFN5O4
Mass
620.12
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
-
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 Quinazolinamines Aniline and substituted anilines Anisoles Benzoyl derivatives Alkyl aryl ethers Aminopyrimidines and derivatives Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides N-acyl amines Imidolactams Heteroaromatic compounds Secondary carboxylic acid amides Ketones Azacyclic compounds Secondary amines Organofluorides Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Quinazolinamine - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Quinazoline - Anisole - Aniline or substituted anilines - Benzoyl - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Fatty acyl - Fatty amide - Imidolactam - N-acyl-amine - Pyrimidine - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid or derivatives - Ketone - Carboxamide group - Azacycle - Secondary amine - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organofluoride - Organochloride - Organohalogen 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