Compound Identification
SMILES
COC(=O)C(NC1=NC2=C(C=C(Cl)C=C2)C(=NC1)C1=CC=CC=C1F)C(C)O
InChIKey
InChIKey=SAYYTELJKHGSKE-UHFFFAOYSA-N
Formula
C20H19ClFN3O3
Mass
403.84
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
-
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
1,4-benzodiazepines Fluorobenzenes Fatty acid esters Beta hydroxy acids and derivatives Aryl chlorides Aryl fluorides Imidolactams Methyl esters Secondary alcohols Ketimines Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxamidines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Amines Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Benzodiazepine - 1,4-benzodiazepine - Halobenzene - Fluorobenzene - Fatty acid ester - Beta-hydroxy acid - Aryl chloride - Imidolactam - Hydroxy acid - Benzenoid - Fatty acyl - Aryl fluoride - Monocyclic benzene moiety - Aryl halide - Methyl ester - Carboxylic acid ester - Secondary alcohol - Ketimine - Amidine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid amidine - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Amine - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Imine - Organohalogen compound - 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