Compound Identification
SMILES
OC(=O)CCNC1CCC2=C1C=CC(OCC1=CC(=C(S1)C(F)(F)F)C1=CC=CC=C1)=C2
InChIKey
InChIKey=UKACCPBZZABPAL-UHFFFAOYSA-N
Formula
C24H22F3NO3S
Mass
461.5
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
Indanes Phenol ethers 2,3,5-trisubstituted thiophenes Alkyl aryl ethers Aralkylamines Benzene and substituted derivatives Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Hydrocarbon derivatives Organofluorides Organic oxides Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Indane - Phenol ether - 2,3,5-trisubstituted thiophene - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Thiophene - Heteroaromatic compound - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Secondary amine - Secondary aliphatic amine - Ether - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - 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