Compound Identification
SMILES
CCCCCCCCCCSC1=NC=NC2=C1N=CN2CC(=O)OC(C)(C)C
InChIKey
InChIKey=SPXXNCWWSULTSZ-UHFFFAOYSA-N
Formula
C21H34N4O2S
Mass
406.59
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
6-thiopurines Alkylarylthioethers Pyrimidines and pyrimidine derivatives N-substituted imidazoles Heteroaromatic compounds Carboxylic acid esters Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - 6-thiopurine - Imidazopyrimidine - Purine - Aryl thioether - Alkylarylthioether - N-substituted imidazole - Pyrimidine - Heteroaromatic compound - Azole - Imidazole - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Organopnictogen compound - Carbonyl group - Organic oxide - 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