Compound Identification
SMILES
COC(=O)C1C(C2=CC=C(F)C=C2)C(C#N)(C2C=CC(=CN12)C(N)=O)C(N)=O
InChIKey
InChIKey=VSZQUVTYPQTERU-UHFFFAOYSA-N
Formula
C19H17FN4O4
Mass
384.367
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
Phenylpyrrolidines Pyrrolidinecarboxamides Pyrrolidine carboxylic acids Aralkylamines Dihydropyridines Fluorobenzenes Aryl fluorides Vinylogous amides Pyrroles Methyl esters Trialkylamines Primary carboxylic acid amides Enamines Azacyclic compounds Allylamines Nitriles Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organofluorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - 3-phenylpyrrolidine - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-3-carboxamide - Dihydropyridine - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Pyrrolidine - Methyl ester - Pyrrole - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Carboxylic acid ester - Primary carboxylic acid amide - Azacycle - Allylamine - Organoheterocyclic compound - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Enamine - Hydrocarbon derivative - Cyanide - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organooxygen compound - Organofluoride - Amine - Organonitrogen 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