Compound Identification
SMILES
OC(=O)C1=C(O)C=C(NC(=S)C2SC(=S)N(C2=O)C2=CC=CC(=C2)C(F)(F)F)C=C1
InChIKey
InChIKey=NPRZPFHQQHKIFR-UHFFFAOYSA-N
Formula
C18H11F3N2O4S3
Mass
472.47
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 Salicylic acids Benzoic acids Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Thiazolidinethiones Vinylogous acids Thioamides Amino acids Tertiary amines Carboxylic acids Thiocarboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Thiocarbonyl compounds Alkyl fluorides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Salicylic acid - Salicylic acid or derivatives - Hydroxybenzoic acid - Trifluoromethylbenzene - Benzoic acid or derivatives - Benzoic acid - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Thiazolidinethione - Vinylogous acid - Thioamide - Thiazolidine - Amino acid - Tertiary amine - Azacycle - Carboxylic acid - Organoheterocyclic compound - Thiocarboxylic acid amide - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Carbonyl group - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Thiocarbonyl group - 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