Compound Identification
SMILES
FC1=CC=C(\C=C2\SC(=S)N(CCC(=O)NN3C(=S)S\C(=C\C4=CC=C(Br)C=C4)C3=O)C2=O)C=C1
InChIKey
InChIKey=WHFSAJMAXOLADR-JYFOCSDGSA-N
Formula
C23H15BrFN3O3S4
Mass
608.53
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
Fluorobenzenes Bromobenzenes Thiazolidinethiones Diacylhydrazines Aryl fluorides Aryl bromides Cyclic dithiocarbamic acid esters Azacyclic compounds Organosulfur compounds Organonitrogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Halobenzene - Fluorobenzene - Bromobenzene - Aryl bromide - Diacylhydrazine - Aryl fluoride - Thiazolidinethione - Benzenoid - Monocyclic benzene moiety - Aryl halide - Dithiocarbamic acid ester - Thiazolidine - Cyclic dithiocarbamic acid ester - Carboxylic acid hydrazide - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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