Compound Identification
SMILES
COC(=O)CN1N=NN=C1C(NCCCN1C=CN=C1)C1=NC2=CC=CC=C2C=C1
InChIKey
InChIKey=FQPWYTPLTXKUNM-UHFFFAOYSA-N
Formula
C20H22N8O2
Mass
406.45
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
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
-
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
Quinolines and derivatives Imidazolyl carboxylic acids and derivatives Aralkylamines Pyridines and derivatives N-substituted imidazoles Benzenoids Tetrazoles Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Quinoline - Imidazolyl carboxylic acid derivative - Aralkylamine - N-substituted imidazole - Benzenoid - Pyridine - Azole - Imidazole - Heteroaromatic compound - Methyl ester - Tetrazole - Carboxylic acid ester - Secondary aliphatic amine - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Secondary amine - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic 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