Compound Identification
SMILES
CN1C=NC2=C1C(N(CC2)C(=O)CCNS(=O)(=O)C1=CC=CC(O)=C1)C1=CC(F)=C(C=C1)C#N
InChIKey
InChIKey=RZMVFAWEXORLDW-UHFFFAOYSA-N
Formula
C23H22FN5O4S
Mass
483.52
Taxonomic Classification
Taxonomy Tree
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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
Benzenesulfonamides Benzenesulfonyl compounds Imidazopyridines Imidazopiperidines Benzonitriles 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Fluorobenzenes Organosulfonamides Aryl fluorides N-substituted imidazoles Tertiary carboxylic acid amides Aminosulfonyl compounds Heteroaromatic compounds Nitriles Azacyclic compounds Organic oxides Organofluorides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Benzenesulfonamide - Imidazopyridine - Imidazopiperidine - Benzenesulfonyl group - Benzonitrile - 1-hydroxy-4-unsubstituted benzenoid - Halobenzene - Fluorobenzene - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Organosulfonic acid amide - N-substituted imidazole - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Aminosulfonyl compound - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Imidazole - Heteroaromatic compound - Azole - Carboxamide group - Azacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Cyanide - Organofluoride - Organohalogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic 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