Compound Identification
SMILES
CCOC(=O)CN1C(=O)C2(C3=CC=CC=C13)C(C#N)=C(N)OC(C)=C2C(=O)OCC
InChIKey
InChIKey=CUOJQZVWZRYMBP-UHFFFAOYSA-N
Formula
C21H21N3O6
Mass
411.414
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
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
-
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
Indoles and derivatives Pyrans Benzenoids Dicarboxylic acids and derivatives Vinylogous esters Tertiary carboxylic acid amides Enoate esters Lactams Ketene acetals Nitriles Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Indole or derivatives - Dicarboxylic acid or derivatives - Pyran - Benzenoid - Tertiary carboxylic acid amide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous ester - Carboxamide group - Carboxylic acid ester - Ketene acetal or derivatives - Lactam - Nitrile - Carbonitrile - Oxacycle - Azacycle - Organoheterocyclic compound - Amine - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Cyanide - 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