Compound Identification
SMILES
FC(F)(F)C1CC(N=C2N1NC(C(=O)N1CCN(CC1)C(=O)C1=CC=CC=C1)=C2Cl)C1=CC=C(Br)C=C1
InChIKey
InChIKey=RCCACKJIAUZTEM-UHFFFAOYSA-N
Formula
C25H22BrClF3N5O2
Mass
596.83
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
Benzamides Pyrazolopyrimidines Benzoyl derivatives Bromobenzenes Aryl bromides Hydropyrimidines Imidolactams Piperazines Pyrazolines Pyrazoles Vinylogous halides Tertiary carboxylic acid amides Amidrazones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Vinyl chlorides Chloroalkenes Amidines Organofluorides Organobromides Organic oxides Carbonyl compounds Alkyl fluorides Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Pyrazolopyrimidine - Benzoic acid or derivatives - Benzamide - Benzoyl - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - 1,4,5,6-tetrahydropyrimidine - Pyrimidine - Piperazine - 1,4-diazinane - Hydropyrimidine - Imidolactam - Monocyclic benzene moiety - Benzenoid - Pyrazole - Tertiary carboxylic acid amide - Pyrazoline - Vinylogous halide - Carboxamide group - Carboxylic acid amidrazone - Amidine - Azacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl chloride - Carbonyl group - Organic oxygen compound - Alkyl fluoride - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Alkyl halide - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organobromide - Organochloride - Organofluoride - 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