Compound Identification
SMILES
OCCN(C(=O)CCN1C(=S)SC(=CC2=CC=CC=C2Cl)C1=O)C1=CC=CC=C1
InChIKey
InChIKey=UTENHOIGZLYNHW-UHFFFAOYSA-N
Formula
C21H19ClN2O3S2
Mass
446.96
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
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
-
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
Anilides Chlorobenzenes Thiazolidinethiones Aryl chlorides Tertiary carboxylic acid amides Cyclic dithiocarbamic acid esters Azacyclic compounds Alkanolamines Primary alcohols Organosulfur compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Anilide - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Thiazolidinethione - Benzenoid - Cyclic dithiocarbamic acid ester - Tertiary carboxylic acid amide - Thiazolidine - Dithiocarbamic acid ester - Carboxamide group - Alkanolamine - Azacycle - Organoheterocyclic compound - Alcohol - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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