Compound Identification
SMILES
CCOC(=O)C(NC(=O)COC1=CC(F)=C(NC2=NC3=CC=CC=C3S2)C=C1)C(=O)OCC
InChIKey
InChIKey=YPHBGBLXEIWAMM-UHFFFAOYSA-N
Formula
C22H22FN3O6S
Mass
475.49
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 Benzothiazoles Phenoxy compounds Phenol ethers Aniline and substituted anilines Alkyl aryl ethers Fluorobenzenes 1,3-dicarbonyl compounds 2-amino-1,3-thiazoles Aryl fluorides Dicarboxylic acids and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Secondary amines Organic oxides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - 1,3-benzothiazole - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Halobenzene - Fluorobenzene - Benzenoid - 1,3-dicarbonyl compound - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - 1,3-thiazol-2-amine - Dicarboxylic acid or derivatives - Azole - Thiazole - Heteroaromatic compound - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Secondary amine - Ether - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - 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