Compound Identification
SMILES
C\N=C(\N=C(/I)C1=CC(=CC=C1)S(C)(=O)=O)/C(=N\CC(O)=O)/C(/Br)=C(\N)C(F)(F)F
InChIKey
InChIKey=IPLULBPVOJJMQP-UQKFJKLJSA-N
Formula
C16H15BrF3IN4O4S
Mass
623.18
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
Benzenesulfonyl compounds Sulfones Secondary ketimines Azomethines Amino acids Imidoyl iodides Vinyl bromides Propargyl-type 1,3-dipolar organic compounds Bromoalkenes Carboxylic acids Monocarboxylic acids and derivatives Enamines Hydrocarbon derivatives Monoalkylamines Organic oxides Carbonyl compounds Organobromides Organofluorides Organoiodides Organopnictogen compounds Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzenesulfonyl group - Monocyclic benzene moiety - Benzenoid - Azomethine - Secondary ketimine - Sulfone - Sulfonyl - Imidoyl iodide - Amino acid - Ketimine - Carboxylic acid - Enamine - Monocarboxylic acid or derivatives - Bromoalkene - Haloalkene - Organic 1,3-dipolar compound - Vinyl bromide - Vinyl halide - Propargyl-type 1,3-dipolar organic compound - Alkyl fluoride - Organonitrogen compound - Organoiodide - Organofluoride - Organobromide - Organohalogen compound - Organic nitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Imine - Organic oxide - Alkyl halide - Organooxygen compound - Organosulfur compound - Primary amine - Amine - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Aromatic homomonocyclic 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