Compound Identification
SMILES
FC(F)OC1=CC=CC=C1C=C1SC(=S)N(CCC(=O)NC2=NC3=CC=CC=C3S2)C1=O
InChIKey
InChIKey=BQPYNQGXJUMVBI-UHFFFAOYSA-N
Formula
C21H15F2N3O3S3
Mass
491.55
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
Benzothiazoles N-arylamides Phenoxy compounds Phenol ethers Thiazolidinethiones Thiazoles Cyclic dithiocarbamic acid esters Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Organic oxides Organofluorides Organosulfur compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - 1,3-benzothiazole - Phenoxy compound - Phenol ether - N-arylamide - Monocyclic benzene moiety - Benzenoid - Thiazolidinethione - Azole - Cyclic dithiocarbamic acid ester - Heteroaromatic compound - Dithiocarbamic acid ester - Thiazole - Thiazolidine - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - 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