Compound Identification
SMILES
CC1=C(NC2=NC=CC(=N2)C2=CN=CC=C2)C=C(NCC(=O)OC2=CC=C(CO[N+]([O-])=O)C=C2)C=C1
InChIKey
InChIKey=PNNPLDXWOQPZIE-UHFFFAOYSA-N
Formula
C25H22N6O5
Mass
486.488
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
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Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
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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 Phenol esters Diaminotoluenes Phenylalkylamines Phenoxy compounds Aniline and substituted anilines Secondary alkylarylamines Aminopyrimidines and derivatives Pyridines and derivatives Alkyl nitrates Heteroaromatic compounds Carboxylic acid esters Organic nitro compounds Organic nitric acids and derivatives Azacyclic compounds Monocarboxylic acids and derivatives Organic salts Organic zwitterions Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Pyridinylpyrimidine - Phenol ester - Diaminotoluene - Phenoxy compound - Aminotoluene - Phenylalkylamine - Aniline or substituted anilines - Aminopyrimidine - Toluene - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Pyridine - Pyrimidine - Alkyl nitrate - Heteroaromatic compound - Organic nitrate - Carboxylic acid ester - Organic nitric acid or derivatives - Organic nitro compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Secondary amine - Azacycle - Monocarboxylic acid or derivatives - Organic zwitterion - Organonitrogen compound - Amine - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic salt - 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