Compound Identification
SMILES
OC1CC(N(C1)S(=O)(=O)C1=CC2=C(OCCO2)C=C1)C(=O)OCC(=O)NCC1=CC=C(F)C=C1
InChIKey
InChIKey=UTTRRMMNUMWOLG-UHFFFAOYSA-N
Formula
C22H23FN2O8S
Mass
494.49
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
Proline and derivatives Benzo-1,4-dioxanes Pyrrolidine carboxylic acids Alkyl aryl ethers Fluorobenzenes Aryl fluorides Para dioxins Organosulfonamides Sulfonyls Secondary carboxylic acid amides Secondary alcohols Carboxylic acid esters Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Proline or derivatives - Benzo-1,4-dioxane - Benzodioxane - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Alkyl aryl ether - Halobenzene - Fluorobenzene - Para-dioxin - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Pyrrolidine - Sulfonyl - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Alcohol - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organofluoride - Organic oxygen compound - Organic oxide - Organohalogen 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