Compound Identification
SMILES
COC1=CC(=CC=C1)S(=O)(=O)NCCC(=O)N1CCC2=C(C1C1=CC(F)=C(C=C1)C#N)N(C)C=N2
InChIKey
InChIKey=MENFDUDVQRGPHP-UHFFFAOYSA-N
Formula
C24H24FN5O4S
Mass
497.55
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
Benzenesulfonamides Imidazopyridines Imidazopiperidines Benzenesulfonyl compounds Phenoxy compounds Anisoles Methoxybenzenes Benzonitriles Alkyl aryl ethers Fluorobenzenes Organosulfonamides Aryl fluorides N-substituted imidazoles Tertiary carboxylic acid amides Aminosulfonyl compounds Heteroaromatic compounds Nitriles Azacyclic compounds Organofluorides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Benzenesulfonamide - Imidazopyridine - Imidazopiperidine - Benzenesulfonyl group - Anisole - Phenol ether - Benzonitrile - Methoxybenzene - Phenoxy compound - Halobenzene - Fluorobenzene - Alkyl aryl ether - Organosulfonic acid amide - N-substituted imidazole - Aryl halide - Aryl fluoride - Benzenoid - Monocyclic benzene moiety - Aminosulfonyl compound - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azole - Imidazole - Heteroaromatic compound - Carboxamide group - Azacycle - Organoheterocyclic compound - Ether - Nitrile - Carbonitrile - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen compound - Organopnictogen compound - Cyanide - 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