Compound Identification
SMILES
COC1=CC(=CC=C1)S(=O)(=O)NCCC(=O)NC(C)(C1=CN=CN1C)C1=CC(F)=C(C=C1)C#N
InChIKey
InChIKey=KELWBJOTLXANIG-UHFFFAOYSA-N
Formula
C23H24FN5O4S
Mass
485.53
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 Phenoxy compounds Anisoles Methoxybenzenes Benzonitriles Alkyl aryl ethers Fluorobenzenes Organosulfonamides Aryl fluorides N-substituted imidazoles Aminosulfonyl compounds Heteroaromatic compounds Secondary carboxylic acid amides Nitriles Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Anisole - Benzonitrile - Phenol ether - Methoxybenzene - Alkyl aryl ether - Fluorobenzene - Halobenzene - N-substituted imidazole - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Imidazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Azole - Sulfonyl - Aminosulfonyl compound - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Ether - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen 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