Compound Identification
SMILES
OC(=O)C(CN(CC1=CC=CC=N1)S(=O)(=O)C1=CC=C(F)C=C1)C(NCC1=CC=CC=N1)C1=CC=C(Br)C=C1
InChIKey
InChIKey=FSSMKSHPVYQTSK-UHFFFAOYSA-N
Formula
C28H26BrFN4O4S
Mass
613.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
- Level 6 Beta amino acids and derivatives
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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
Beta amino acids and derivatives
Alternative Parents
Phenylpropanoic acids Benzenesulfonamides Benzenesulfonyl compounds 2-pyridylmethylamines Aralkylamines Fluorobenzenes Bromobenzenes Organosulfonamides Aryl bromides Aryl fluorides Aminosulfonyl compounds Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organobromides Organic oxides Organofluorides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - 3-phenylpropanoic-acid - Benzenesulfonamide - Benzenesulfonyl group - 2-pyridylmethylamine - Halobenzene - Fluorobenzene - Aralkylamine - Bromobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Organosulfonic acid amide - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Amino acid - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Organosulfur compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available