Compound Identification
SMILES
FC(F)(F)[C@H](CC(=O)N[C@@H]1CCCC2=C1C=CC(CN1CCCCC1)=C2)NS(=O)(=O)C1=CC2=C(OCC2)C=C1
InChIKey
InChIKey=NQYZZXHKCWBDPY-RSXGOPAZSA-N
Formula
C28H34F3N3O4S
Mass
565.65
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
-
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
-
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
Tetralins Coumarans Alkyl aryl ethers Aralkylamines Piperidines Organosulfonamides N-acyl amines Aminosulfonyl compounds Trialkylamines Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Alkyl fluorides Organic oxides Organofluorides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Tetralin - Coumaran - Alkyl aryl ether - Aralkylamine - Fatty amide - N-acyl-amine - Piperidine - Organosulfonic acid amide - Fatty acyl - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Oxacycle - Ether - Amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alkyl fluoride - Alkyl halide - 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