Compound Identification
SMILES
CNC(=O)[C@H]1[C@H](C2=CC=CC=C2)C(C#N)=C(N)NC1=S
InChIKey
InChIKey=UMACFRGFIPWFNX-GHMZBOCLSA-N
Formula
C14H14N4OS
Mass
286.35
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
Tetrahydropyridines Benzene and substituted derivatives Thiolactams Secondary carboxylic acid amides Ketene acetals Nitriles Azacyclic compounds Thiocarbonyl compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Tetrahydropyridine - Monocyclic benzene moiety - Hydropyridine - Benzenoid - Thiolactam - Carboxamide group - Ketene acetal or derivatives - Secondary carboxylic acid amide - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Thiocarbonyl group - 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