Compound Identification
SMILES
CN1C2=C(N(CC(=O)OCC(=O)NC3=C(Cl)C=CC(=C3)C(F)(F)F)C=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=ANWKPBBVSDGMHY-UHFFFAOYSA-N
Formula
C18H15ClF3N5O5
Mass
473.79
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
-
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 Trifluoromethylbenzenes 6-oxopurines Alkaloids and derivatives Anilides N-arylamides Pyrimidones Chlorobenzenes N-substituted imidazoles Aryl chlorides Vinylogous amides Heteroaromatic compounds Ureas Secondary carboxylic acid amides Lactams Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organochlorides Organofluorides Organic oxides Alkyl fluorides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Xanthine - 6-oxopurine - Trifluoromethylbenzene - Purinone - Imidazopyrimidine - Purine - Alkaloid or derivatives - Anilide - N-arylamide - Pyrimidone - Halobenzene - Chlorobenzene - N-substituted imidazole - Aryl chloride - Aryl halide - Pyrimidine - Benzenoid - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Carboxamide group - Carboxylic acid ester - Urea - Secondary carboxylic acid amide - Lactam - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organofluoride - Organohalogen compound - Organochloride - 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