Compound Identification
SMILES
COC(=O)C[C@@H]([C@@H](NC(=O)[C@@H](O)C1=CC=C(C=C1)C(F)(F)F)C(=O)OC)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=CNMKXPZXQJIFEF-QRQLOZEOSA-N
Formula
C22H21F3N2O8
Mass
498.411
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 Trifluoromethylbenzenes Phenylacetamides Nitrobenzenes Nitroaromatic compounds Fatty acid methyl esters Dicarboxylic acids and derivatives Methyl esters Secondary carboxylic acid amides Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organic salts Hydrocarbon derivatives Organic zwitterions Organofluorides Carbonyl compounds Aromatic alcohols Organonitrogen compounds Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Trifluoromethylbenzene - Phenylacetamide - Nitrobenzene - Nitroaromatic compound - Fatty acid ester - Fatty acid methyl ester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Methyl ester - Carboxamide group - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Secondary alcohol - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organic zwitterion - Organofluoride - Organohalogen compound - Organic salt - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Alcohol - Carbonyl group - Organic oxygen compound - Aromatic alcohol - Organonitrogen compound - Organooxygen compound - 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