Compound Identification
SMILES
CCCOC(=O)C(N1C=CC2=NC(=NC2=C1)C1=CC=CC=C1F)C1=NN=C(C=C1)C1=C(C=C(C=C1)C(F)(F)F)C(F)(F)F
InChIKey
InChIKey=RYPMIFSOUGVMBN-UHFFFAOYSA-N
Formula
C29H20F7N5O2
Mass
603.501
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
Phenylpyridazines Phenylimidazoles Trifluoromethylbenzenes Imidazo-[4,5-c]pyridines Fluorobenzenes Pyridines and derivatives Aryl fluorides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Phenylpyridazine - 2-phenylimidazole - Trifluoromethylbenzene - Imidazopyridine - Imidazo-[4,5-c]pyridine - Fluorobenzene - Halobenzene - Benzenoid - Pyridine - Pyridazine - Aryl fluoride - Monocyclic benzene moiety - Aryl halide - Heteroaromatic compound - Imidazole - Azole - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - 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