Compound Identification
SMILES
CC1=C(OCCC2=CC=CC=N2)C=C(C=C1)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
InChIKey
InChIKey=CTLSVCDMUMRQAL-KRWDZBQOSA-N
Formula
C21H28N6O3
Mass
412.494
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 p-Toluamides Benzoyl derivatives Phenoxy compounds Phenol ethers Alkyl aryl ethers Pyridines and derivatives Fatty amides Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Guanidines Azacyclic compounds Carboximidamides Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - P-toluamide - Toluamide - Phenol ether - Phenoxy compound - Benzoyl - Alkyl aryl ether - Toluene - Pyridine - Fatty amide - Fatty acyl - Heteroaromatic compound - Guanidine - Carboxamide group - Primary carboxylic acid amide - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic 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