Compound Identification
SMILES
COC(=O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)CSC1=C(C=C(C=C1)C(F)(F)F)[N+]([O-])=O
InChIKey
InChIKey=KFHPUVSFMWLXJA-MRXNPFEDSA-N
Formula
C21H18F3N3O5S
Mass
481.45
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 3-alkylindoles Nitrobenzenes Thiophenol ethers Nitroaromatic compounds Alkylarylthioethers Fatty acid esters Substituted pyrroles Heteroaromatic compounds Methyl esters Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic salts Alkyl fluorides Carbonyl compounds Hydrocarbon derivatives Organonitrogen compounds Organic zwitterions Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Trifluoromethylbenzene - 3-alkylindole - Nitrobenzene - Indole or derivatives - Indole - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Fatty acid ester - Alkylarylthioether - Substituted pyrrole - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Pyrrole - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxamide group - C-nitro compound - Organic nitro compound - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Sulfenyl compound - Thioether - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic salt - Alkyl halide - Organohalogen compound - Organic oxide - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Hydrocarbon derivative - Alkyl fluoride - Aromatic heteropolycyclic 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