Compound Identification
SMILES
COC(=O)[C@H](COC(=O)C1=CC=C(C=C1)[N+]([O-])=O)NC(=O)[C@@](OC)(C1=CC=CC=C1)C(F)(F)F
InChIKey
InChIKey=BZGPPBFNRJFLPH-JXFKEZNVSA-N
Formula
C21H19F3N2O8
Mass
484.384
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
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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
N-acyl-alpha amino acids and derivatives
Alternative Parents
Alpha amino acid esters Nitrobenzoic acids and derivatives Phenylacetamides Benzoic acid esters Benzylethers Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Methyl esters Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Dialkyl ethers Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic salts Organic zwitterions Organofluorides Organonitrogen compounds Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Nitrobenzoate - Benzoate ester - Phenylacetamide - Benzoic acid or derivatives - Nitrobenzene - Benzylether - Nitroaromatic compound - Benzoyl - Monocyclic benzene moiety - Benzenoid - Methyl ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Dialkyl ether - Organic oxoazanium - Ether - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available