Compound Identification
SMILES
N[C@@H](CC(=O)N1CC2=CC=CC=C2C[C@H]1CNS(=O)(=O)C1CC1)CC1=CC=CC=C1F
InChIKey
InChIKey=ZNTOIAJPUWOMAA-UXHICEINSA-N
Formula
C23H28FN3O3S
Mass
445.55
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
Tetrahydroisoquinolines Amphetamines and derivatives Fluorobenzenes Aralkylamines Organosulfonamides Organic sulfonamides Aryl fluorides Tertiary carboxylic acid amides Aminosulfonyl compounds Azacyclic compounds Organofluorides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Amphetamine or derivatives - Tetrahydroisoquinoline - Halobenzene - Fluorobenzene - Aralkylamine - Aryl fluoride - Organic sulfonic acid amide - Organosulfonic acid amide - Aryl halide - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Organosulfonic acid or derivatives - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Sulfonyl - Carboxamide group - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Primary amine - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur 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