Compound Identification
SMILES
COC(=O)C1=CC=C(C=C1)C1C(N2C=C(C=CC2C1(C#N)C(=O)OC)C(C)=O)C(N)=O
InChIKey
InChIKey=IFUHYSVKYCXGHR-UHFFFAOYSA-N
Formula
C22H21N3O6
Mass
423.425
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 amides
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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 amides
Alternative Parents
Phenylpyrrolidines Benzoic acid esters Pyrrolidinecarboxamides Pyrrolidine carboxylic acids Benzoyl derivatives Aralkylamines Dihydropyridines Vinylogous amides Pyrroles Methyl esters Ketones Primary carboxylic acid amides Trialkylamines Azacyclic compounds Enamines Allylamines Monocarboxylic acids and derivatives Nitriles Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid amide - 3-phenylpyrrolidine - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Dihydropyridine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Pyrrole - Vinylogous amide - Methyl ester - Pyrrolidine - Carboxamide group - Carboxylic acid ester - Ketone - Primary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Azacycle - Enamine - Allylamine - Organic oxide - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Cyanide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
External Descriptors
Not available