Compound Identification
SMILES
OC(=O)C(F)(F)F.CN(CCC1=CC=C(C=C1)C1=NCCN1)C(=O)CCNCS(=O)(=O)C1=C(Cl)C=C(C=C1)C(F)(F)F
InChIKey
InChIKey=WOQLCBJXVUBSSR-UHFFFAOYSA-N
Formula
C25H27ClF6N4O5S
Mass
645.01
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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 Benzenesulfonyl compounds Chlorobenzenes Aryl chlorides Imidolactams Tertiary carboxylic acid amides Sulfones Alpha-halocarboxylic acids Imidazolines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carboximidamides Carboxamidines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Amines Organofluorides Alkyl fluorides
Molecular Framework
Not available
Substituents
Beta amino acid or derivatives - Trifluoromethylbenzene - Benzenesulfonyl group - Halobenzene - Chlorobenzene - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Aryl chloride - Alpha-halocarboxylic acid - Sulfone - 2-imidazoline - Tertiary carboxylic acid amide - Sulfonyl - Alpha-halocarboxylic acid or derivatives - Carboxamide group - Amidine - Azacycle - Organoheterocyclic compound - Carboxylic acid amidine - Organic 1,3-dipolar compound - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Monocarboxylic acid or derivatives - Amine - Alkyl fluoride - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Alkyl halide - Organic oxide - Organosulfur compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - 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