Compound Identification
SMILES
COCCN1C=NC2=C1C(=O)N(CC(=O)OCC(=O)NCC(F)(F)F)C(=O)N2CC1=CC=CC=C1
InChIKey
InChIKey=PYXAYPHSSXQHPY-UHFFFAOYSA-N
Formula
C21H22F3N5O6
Mass
497.431
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
-
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
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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
Xanthines 6-oxopurines Alkaloids and derivatives Pyrimidones N-substituted imidazoles Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Ureas Secondary carboxylic acid amides Lactams Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Alkyl fluorides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Imidazopyrimidine - Purine - Pyrimidone - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Pyrimidine - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Carboxamide group - Carboxylic acid ester - Lactam - Urea - Secondary carboxylic acid amide - Dialkyl ether - Monocarboxylic acid or derivatives - Ether - Organoheterocyclic compound - Azacycle - Organooxygen compound - Alkyl halide - Organic oxygen compound - Alkyl fluoride - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - 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