Compound Identification
SMILES
CCC(COC(=O)CNC1=CC(NC2=NC=CC(=N2)C2=CN=CC=C2)=C(C)C=C1)O[N+]([O-])=O
InChIKey
InChIKey=GTKXFVFTUXVWJC-UHFFFAOYSA-N
Formula
C22H24N6O5
Mass
452.471
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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Level 6
Alpha amino acids and derivatives
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Level 5
Amino acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
Alpha amino acid esters
Alternative Parents
Pyridinylpyrimidines Diaminotoluenes Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Aminopyrimidines and derivatives Pyridines and derivatives Alkyl nitrates Heteroaromatic compounds Organic nitro compounds Organic nitric acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Pyridinylpyrimidine - Diaminotoluene - Aminotoluene - Phenylalkylamine - Aniline or substituted anilines - Aminopyrimidine - Secondary aliphatic/aromatic amine - Toluene - Monocyclic benzene moiety - Pyridine - Pyrimidine - Benzenoid - Organic nitrate - Heteroaromatic compound - Alkyl nitrate - Carboxylic acid ester - Organic nitric acid or derivatives - Organic nitro compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Azacycle - Monocarboxylic acid or derivatives - Organic salt - Organonitrogen compound - Amine - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available