Compound Identification
SMILES
CCOC(=O)CN1C=NC2=CN=C(C=C12)C(=O)NC(C)C1=CN=C(NC2=CC=C(C=C2)C(F)(F)F)S1
InChIKey
InChIKey=IJNSPCQLPGUIRE-UHFFFAOYSA-N
Formula
C23H21F3N6O3S
Mass
518.52
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
Trifluoromethylbenzenes Pyridinecarboxylic acids and derivatives Imidazo-[4,5-c]pyridines 2-heteroaryl carboxamides Aniline and substituted anilines 2,5-disubstituted thiazoles 2-amino-1,3-thiazoles N-substituted imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Amines Alkyl fluorides Organic oxides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Trifluoromethylbenzene - Pyridine carboxylic acid or derivatives - Imidazo-[4,5-c]pyridine - Imidazopyridine - 2-heteroaryl carboxamide - Aniline or substituted anilines - 2,5-disubstituted 1,3-thiazole - Pyridine - N-substituted imidazole - Monocyclic benzene moiety - Benzenoid - 1,3-thiazol-2-amine - Thiazole - Heteroaromatic compound - Imidazole - Azole - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen 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