Compound Identification
SMILES
CCOC(=O)CN1CCC2=C(C1)C=CC(C1=NOC(=N1)C1=CC(C#N)=C(OC(C)C)C=C1)=C2C
InChIKey
InChIKey=DDXIHSZNRKGMLQ-UHFFFAOYSA-N
Formula
C26H28N4O4
Mass
460.534
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 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
Phenyloxadiazoles Tetrahydroisoquinolines Phenoxy compounds Phenol ethers Benzonitriles Alkyl aryl ethers Aralkylamines Heteroaromatic compounds Trialkylamines Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Nitriles Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Phenyl-1,2,4-oxadiazole - Tetrahydroisoquinoline - Phenol ether - Benzonitrile - Phenoxy compound - Aralkylamine - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Oxadiazole - Azole - 1,2,4-oxadiazole - Tertiary amine - Carboxylic acid ester - Tertiary aliphatic amine - Oxacycle - Azacycle - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organoheterocyclic compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Cyanide - Amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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