Compound Identification
SMILES
COC(=O)[C@H]([NH+]1CCN(CC1)C1=NC=NC2=C1OC1=CC=CC=C21)C1=CC=C(F)C=C1
InChIKey
InChIKey=BDRNISVTTKMDOB-HXUWFJFHSA-O
Formula
C23H22FN4O3
Mass
421.452
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
N-arylpiperazines Benzofurans Dialkylarylamines Fluorobenzenes Aminopyrimidines and derivatives Aralkylamines N-alkylpiperazines Aryl fluorides Imidolactams Quaternary ammonium salts Furans Heteroaromatic compounds Methyl esters Trialkylamines Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organofluorides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - N-arylpiperazine - Benzofuran - Dialkylarylamine - Aminopyrimidine - Fluorobenzene - Halobenzene - N-alkylpiperazine - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyrimidine - Benzenoid - Imidolactam - Quaternary ammonium salt - Methyl ester - Heteroaromatic compound - Furan - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Oxacycle - Monocarboxylic acid or derivatives - Amine - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic cation - 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