Compound Identification
SMILES
CN1CCN(CC1)C(=O)CCN1C(=S)S\C(=C/C=C/C2=CC=CC=C2)C1=O
InChIKey
InChIKey=WZKONWKATWOMBD-WIXUPIFPSA-N
Formula
C20H23N3O2S2
Mass
401.54
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
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
Styrenes N-methylpiperazines Thiazolidinethiones Tertiary carboxylic acid amides Cyclic dithiocarbamic acid esters Trialkylamines Azacyclic compounds Organosulfur compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Styrene - N-methylpiperazine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Thiazolidinethione - Benzenoid - Cyclic dithiocarbamic acid ester - Tertiary carboxylic acid amide - Thiazolidine - Dithiocarbamic acid ester - Tertiary amine - Carboxamide group - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Amine - 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