Compound Identification
SMILES
CCC[C@H](NC(=O)CC1=CC(F)=CC(F)=C1)C(=O)NC1=NC(C(C)C)=C(S1)C(=O)OC
InChIKey
InChIKey=UEVXBTMTKJKXIP-HNNXBMFYSA-N
Formula
C21H25F2N3O4S
Mass
453.5
Taxonomic Classification
Taxonomy Tree
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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 amides Phenylacetamides Thiazolecarboxylic acids and derivatives 2,4,5-trisubstituted thiazoles N-arylamides Fluorobenzenes Aryl fluorides Fatty amides Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Phenylacetamide - 2,4,5-trisubstituted 1,3-thiazole - Thiazolecarboxylic acid or derivatives - N-arylamide - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Fatty amide - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Methyl ester - Thiazole - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic 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