Compound Identification
SMILES
CC(C)[C@H](N)C(=O)OCC[C@@H]1CCCCN1C1=NC2=C(Br)C=NN2C(NCC2=CN=CC=C2)=C1
InChIKey
InChIKey=SVDOJPOWNFLPOA-AVRDEDQJSA-N
Formula
C24H32BrN7O2
Mass
530.471
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
-
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
Valine and derivatives Pyrazolo[1,5-a]pyrimidines Dialkylarylamines Aminopyrimidines and derivatives Fatty acid esters Pyridines and derivatives Piperidines Aryl bromides Imidolactams Pyrazoles Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Monoalkylamines Organobromides Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Valine or derivatives - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Dialkylarylamine - Aminopyrimidine - Fatty acid ester - Piperidine - Aryl bromide - Pyridine - Fatty acyl - Aryl halide - Imidolactam - Pyrimidine - Heteroaromatic compound - Pyrazole - Azole - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Primary aliphatic amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Primary amine - 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