Compound Identification
SMILES
COC1=CC=C(C=C1)[C@@H]1C[C@@H](N2NC(C(O)=O)=C(Br)C2=N1)C(F)(F)F
InChIKey
InChIKey=OHPLTZVHODGGGV-VHSXEESVSA-N
Formula
C15H13BrF3N3O3
Mass
420.186
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
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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
Pyrazolopyrimidines Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Hydropyrimidines Imidolactams Vinylogous halides Pyrazolines Pyrazoles Amidrazones Vinyl bromides Amidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Bromoalkenes Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Alkyl fluorides Hydrocarbon derivatives Organobromides Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Pyrazolopyrimidine - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Pyrimidine - Imidolactam - Benzenoid - Pyrazole - Pyrazoline - Vinylogous halide - Carboxylic acid amidrazone - Vinyl bromide - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Vinyl halide - Haloalkene - Amidine - Carboxylic acid - Ether - Azacycle - Monocarboxylic acid or derivatives - Bromoalkene - Alkyl halide - Organohalogen compound - Organobromide - Organofluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl fluoride - 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