Compound Identification
SMILES
CN([C@@H]1CCOC2=C1C=CC(CN1CCCCC1)=C2)C(=O)C[C@@H](NS(=O)(=O)C1=CC=CC(=C1)C(F)(F)F)C(F)(F)F
InChIKey
InChIKey=NTAQSYBWRXZSPB-ISKFKSNPSA-N
Formula
C27H31F6N3O4S
Mass
607.61
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
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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 1-benzopyrans Benzenesulfonamides Benzenesulfonyl compounds Alkyl aryl ethers Aralkylamines Piperidines Organosulfonamides N-acyl amines Tertiary carboxylic acid amides Aminosulfonyl compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - 1-benzopyran - Trifluoromethylbenzene - Benzenesulfonamide - Chromane - Benzopyran - Benzenesulfonyl group - Alkyl aryl ether - Aralkylamine - N-acyl-amine - Piperidine - Organosulfonic acid amide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Sulfonyl - Aminosulfonyl compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Organosulfur compound - Amine - Alkyl halide - Carbonyl group - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen 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