Compound Identification
SMILES
CC(C)CNC1=CC2=C(C=C1)[C@@H](CCC2)NC(=O)C[C@@H](NS(=O)(=O)C1=CC=CC(=C1)C(F)(F)F)C1=CC=C(F)C=C1
InChIKey
InChIKey=WZJFOGDNPOHREH-VSGBNLITSA-N
Formula
C30H33F4N3O3S
Mass
591.67
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
Trifluoromethylbenzenes Tetralins Benzenesulfonamides Benzenesulfonyl compounds Secondary alkylarylamines Fluorobenzenes Aryl fluorides Organosulfonamides Fatty amides Aminosulfonyl compounds Secondary carboxylic acid amides Organopnictogen compounds Alkyl fluorides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Beta amino acid or derivatives - Tetralin - Benzenesulfonamide - Trifluoromethylbenzene - Benzenesulfonyl group - Halobenzene - Fluorobenzene - Secondary aliphatic/aromatic amine - Aryl halide - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Aryl fluoride - Organosulfonic acid amide - Fatty amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Secondary amine - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic homopolycyclic 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