Compound Identification
SMILES
COC1=C(OC)C=C(NC(=O)C2=C(Br)C3=NC(CC(N3N2)C(F)(F)F)C2=CC=CS2)C=C1
InChIKey
InChIKey=FBIOUPBHCTZWAH-UHFFFAOYSA-N
Formula
C20H18BrF3N4O3S
Mass
531.35
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
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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
Dimethoxybenzenes Anilides Pyrimidinecarboxamides Pyrazolopyrimidines Methoxyanilines Anisoles Phenoxy compounds N-arylamides Alkyl aryl ethers Hydropyrimidines Imidolactams Vinylogous halides Thiophenes Heteroaromatic compounds Pyrazolines Pyrazoles Amidrazones Secondary carboxylic acid amides Amidines Bromoalkenes Azacyclic compounds Vinyl bromides Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organofluorides Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dimethoxybenzene - O-dimethoxybenzene - Alpha-amino acid or derivatives - Pyrazolopyrimidine - Pyrimidinecarboxamide - Anilide - Methoxyaniline - Methoxybenzene - Phenoxy compound - N-arylamide - Phenol ether - Anisole - Alkyl aryl ether - Imidolactam - 1,4,5,6-tetrahydropyrimidine - Benzenoid - Hydropyrimidine - Pyrimidine - Monocyclic benzene moiety - Pyrazoline - Vinylogous halide - Pyrazole - Heteroaromatic compound - Thiophene - Carboxylic acid amidrazone - Carboxamide group - Secondary carboxylic acid amide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Haloalkene - Vinyl bromide - Vinyl halide - Amidine - Ether - Azacycle - Bromoalkene - Alkyl halide - Organohalogen compound - Organobromide - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organofluoride - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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