Compound Identification
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N1CCCN(CCC(=O)NC2=CC=CC(=C2)C(F)(F)F)CC1
InChIKey
InChIKey=HCMDFFYCXMXLAI-UHFFFAOYSA-N
Formula
C22H26F3N3O4S
Mass
485.52
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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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 Benzenesulfonamides Anilides Benzenesulfonyl compounds Anisoles Methoxybenzenes N-arylamides Phenoxy compounds Alkyl aryl ethers 1,4-diazepanes Organosulfonamides Sulfonyls Secondary carboxylic acid amides Trialkylamines Azacyclic compounds Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Benzenesulfonamide - Trifluoromethylbenzene - Anilide - Benzenesulfonyl group - Phenoxy compound - Methoxybenzene - N-arylamide - Phenol ether - Anisole - 1,4-diazepane - Diazepane - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Ether - Alkyl halide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organooxygen compound - Organosulfur compound - Alkyl fluoride - Aromatic heteromonocyclic 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