Compound Identification
SMILES
Cl.Cl.N[C@@H](CC1=CC=C(F)C=C1)C(=O)NCC1=CN=C(N)S1
InChIKey
InChIKey=ITGRMPTVQDTVCS-IDMXKUIJSA-N
Formula
C13H17Cl2FN4OS
Mass
367.26
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
-
Level 6
Alpha amino acids and derivatives
- Level 7 Phenylalanine and derivatives
-
Level 6
Alpha amino acids and derivatives
-
Level 5
Amino acids and derivatives
-
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
Phenylalanine and derivatives
Alternative Parents
Alpha amino acid amides Amphetamines and derivatives 2,5-disubstituted thiazoles Aralkylamines Fluorobenzenes 2-amino-1,3-thiazoles Aryl fluorides Fatty amides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organofluorides Carbonyl compounds Monoalkylamines Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - Alpha-amino acid amide - Amphetamine or derivatives - 2,5-disubstituted 1,3-thiazole - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Fatty amide - Benzenoid - Fatty acyl - 1,3-thiazol-2-amine - Thiazole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Carbonyl group - Amine - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary amine - Organic nitrogen compound - Hydrochloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available