Compound Identification
SMILES
COC(=O)CN1C(CN2CCN(CC2)C2=CC=CC=C2)=NC2=C1C(=O)N(C)C(=O)N2C
InChIKey
InChIKey=AJIXFGNRBHMSJE-UHFFFAOYSA-N
Formula
C21H26N6O4
Mass
426.477
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
N-arylpiperazines Phenylpiperazines Xanthines 6-oxopurines Alkaloids and derivatives Dialkylarylamines Aniline and substituted anilines Aralkylamines N-alkylpiperazines Pyrimidones N-substituted imidazoles Methyl esters Vinylogous amides Heteroaromatic compounds Trialkylamines Lactams Ureas Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Phenylpiperazine - N-arylpiperazine - Xanthine - 6-oxopurine - Purinone - Imidazopyrimidine - Purine - Alkaloid or derivatives - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Pyrimidone - Aralkylamine - N-alkylpiperazine - Benzenoid - 1,4-diazinane - N-substituted imidazole - Monocyclic benzene moiety - Piperazine - Pyrimidine - Imidazole - Azole - Heteroaromatic compound - Methyl ester - Vinylogous amide - Tertiary aliphatic amine - Carboxylic acid ester - Tertiary amine - Lactam - Urea - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Amine - Organic oxide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen 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