Compound Identification
SMILES
FC(F)(F)C1=CC(NC(=O)CSC2=NC3=CC=CC=C3N2C(=O)CCN2C(=S)SC(=CC3=CC=C(Cl)C=C3)C2=O)=CC=C1
InChIKey
InChIKey=GTURATSGKKLKEP-UHFFFAOYSA-N
Formula
C29H20ClF3N4O3S3
Mass
661.13
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 Anilides Benzimidazoles N-arylamides Alkylarylthioethers Carbonylimidazoles N-acylimidazoles Chlorobenzenes Thiazolidinethiones Aryl chlorides Cyclic dithiocarbamic acid esters Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides Organofluorides Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Trifluoromethylbenzene - Benzimidazole - Anilide - N-arylamide - Aryl thioether - N-acylimidazole - Alkylarylthioether - Halobenzene - Imidazole-1-carbonyl group - Chlorobenzene - Monocyclic benzene moiety - N-substituted imidazole - Aryl halide - Benzenoid - Aryl chloride - Thiazolidinethione - Cyclic dithiocarbamic acid ester - Azole - Heteroaromatic compound - Dithiocarbamic acid ester - Imidazole - Thiazolidine - Secondary carboxylic acid amide - Carboxamide group - Thioether - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organic nitrogen compound - Alkyl fluoride - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organochloride - Alkyl halide - Organofluoride - 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