Compound Identification
SMILES
CC(CSC1=NC=CC=N1)NC(=O)C1=COC(CC(NCC2=CC=CC=C2)C(=O)OC2=C(F)C(F)=C(F)C(F)=C2F)=N1
InChIKey
InChIKey=ASKADKIPKKAOIT-UHFFFAOYSA-N
Formula
C27H22F5N5O4S
Mass
607.56
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
Phenol esters 2-heteroaryl carboxamides Benzylamines Phenoxy compounds Phenylmethylamines Aralkylamines Alkylarylthioethers 2,4-disubstituted oxazoles Fluorobenzenes Fatty acid esters Pyrimidines and pyrimidine derivatives Aryl fluorides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Dialkylamines Organic oxides Hydrocarbon derivatives Carbonyl compounds Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Phenol ester - 2-heteroaryl carboxamide - Phenoxy compound - Aryl thioether - Phenylmethylamine - Benzylamine - 2,4-disubstituted 1,3-oxazole - Halobenzene - Fatty acid ester - Alkylarylthioether - Aralkylamine - Fluorobenzene - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Pyrimidine - Azole - Heteroaromatic compound - Oxazole - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Secondary amine - Thioether - Oxacycle - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Monocarboxylic acid or derivatives - Organooxygen compound - Organosulfur compound - Carbonyl group - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic 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