Compound Identification
SMILES
C[C@@H](NC(=O)C1=C(Br)C2=N[C@H](C[C@H](N2N1)C(F)(F)F)C1=CC=CS1)C1=CC=CC=C1
InChIKey
InChIKey=IVXJMROSXGFWFS-KYOSRNDESA-N
Formula
C20H18BrF3N4OS
Mass
499.35
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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Pyrimidinecarboxamides Pyrazolopyrimidines Benzene and substituted derivatives Hydropyrimidines Imidolactams Vinylogous halides Thiophenes Pyrazolines Pyrazoles Heteroaromatic compounds Amidrazones Secondary carboxylic acid amides Amidines Vinyl bromides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Bromoalkenes Alkyl fluorides Carbonyl compounds Organofluorides Hydrocarbon derivatives Organobromides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Pyrazolopyrimidine - Pyrimidinecarboxamide - Monocyclic benzene moiety - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Pyrimidine - Benzenoid - Imidolactam - Vinylogous halide - Heteroaromatic compound - Pyrazole - Pyrazoline - Thiophene - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid amidrazone - Organoheterocyclic compound - Amidine - Azacycle - Bromoalkene - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Haloalkene - Vinyl bromide - Vinyl halide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Organofluoride - Carbonyl group - Alkyl fluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic 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