Compound Identification
SMILES
CC(C)[C@H](N)C(=O)O[C@@H]1[C@@H](CO)N[C@H]([C@@H]1OC(=O)[C@@H](N)C(C)C)C1=CNC2=C1N=CN=C2N
InChIKey
InChIKey=ZSFZZOXAUWKXJR-SBWDDHIQSA-N
Formula
C21H33N7O5
Mass
463.539
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
-
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 Pyrrolopyrimidines Aminopyrimidines and derivatives Aralkylamines Fatty acid esters Substituted pyrroles Imidolactams Dicarboxylic acids and derivatives Pyrrolidines Heteroaromatic compounds 1,2-aminoalcohols Carboxylic acid esters Azacyclic compounds Dialkylamines Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Valine or derivatives - Pyrrolopyrimidine - Aminopyrimidine - Fatty acid ester - Aralkylamine - Dicarboxylic acid or derivatives - Pyrimidine - Substituted pyrrole - Imidolactam - Fatty acyl - Heteroaromatic compound - Pyrrolidine - Pyrrole - Carboxylic acid ester - 1,2-aminoalcohol - Azacycle - Secondary amine - Organoheterocyclic compound - Secondary aliphatic amine - Organic nitrogen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxide - Organooxygen compound - Primary alcohol - Primary amine - Carbonyl group - Amine - Alcohol - Hydrocarbon derivative - Organic oxygen compound - 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