Compound Identification
SMILES
CC1=CC(NC(=O)CSC2=NC(=CC3=CC=CC=C3)C(=O)N2C2=CC=C(F)C=C2)=NO1
InChIKey
InChIKey=GQISEPPRAUCDBN-UHFFFAOYSA-N
Formula
C22H17FN4O3S
Mass
436.46
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
N-arylamides Fluorobenzenes Aryl fluorides Imidazolinones Imidolactams Heteroaromatic compounds Isoxazoles Secondary carboxylic acid amides Isothioureas Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Azacyclic compounds Organofluorides Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - N-arylamide - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Imidazolinone - Benzenoid - Imidolactam - Azole - Heteroaromatic compound - Isoxazole - 2-imidazoline - Secondary carboxylic acid amide - Carboxamide group - Isothiourea - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Carbonyl group - Organofluoride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available