Compound Identification
SMILES
CN(C1CC1)S(=O)(=O)C1=CN=CC(=C1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCC1=CC=C(F)C=C1
InChIKey
InChIKey=PCTHAMJNXGMNMV-IBGZPJMESA-N
Formula
C22H24FN3O6S2
Mass
509.57
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
- Level 6 Beta amino acids and derivatives
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Level 5
Amino acids and derivatives
-
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
Pyridinesulfonamides Nicotinamides Gamma-keto acids and derivatives Fluorobenzenes Organosulfonamides Aryl fluorides Aminosulfonyl compounds Heteroaromatic compounds Secondary carboxylic acid amides Ketones Sulfenyl compounds Azacyclic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Organofluorides Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Pyridine-3-sulfonamide - Nicotinamide - Pyridine carboxylic acid or derivatives - Gamma-keto acid - Fluorobenzene - Halobenzene - Keto acid - Benzenoid - Aryl fluoride - Monocyclic benzene moiety - Aryl halide - Pyridine - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carboxamide group - Ketone - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Thioether - Dialkylthioether - Monocarboxylic acid or derivatives - Sulfenyl compound - Carboxylic acid - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur 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