Compound Identification
SMILES
COC(=O)C(C)N1C2=C(N=C1C(C)(C)O)C(=NC(Cl)=N2)N1CCOCC1
InChIKey
InChIKey=HBGGNHFIGSTTRJ-UHFFFAOYSA-N
Formula
C16H22ClN5O4
Mass
383.83
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
6-alkylaminopurines Dialkylarylamines 2-halopyrimidines Aminopyrimidines and derivatives N-substituted imidazoles Morpholines Aryl chlorides Imidolactams Tertiary alcohols Methyl esters Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Dialkyl ethers Organochlorides Organic oxides Carbonyl compounds Aromatic alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - 6-alkylaminopurine - 6-aminopurine - Imidazopyrimidine - Purine - Dialkylarylamine - 2-halopyrimidine - Aminopyrimidine - Halopyrimidine - N-substituted imidazole - Morpholine - Aryl chloride - Oxazinane - Pyrimidine - Imidolactam - Aryl halide - Imidazole - Methyl ester - Heteroaromatic compound - Tertiary alcohol - Azole - Carboxylic acid ester - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Dialkyl ether - Ether - Organoheterocyclic compound - Organohalogen compound - Aromatic alcohol - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organochloride - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Alcohol - 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