Compound Identification
SMILES
CC1=C(C(C(C(N)=O)C(=C)N1)C1=CC=CS1)C(N)=O
InChIKey
InChIKey=IPVYLCYGLFVBBG-UHFFFAOYSA-N
Formula
C13H15N3O2S
Mass
277.34
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 Vinylogous amides Thiophenes Heteroaromatic compounds Primary carboxylic acid amides Enamines Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Tetrahydropyridine - Hydropyridine - Heteroaromatic compound - Thiophene - Vinylogous amide - Carboxamide group - Primary carboxylic acid amide - Secondary aliphatic amine - Enamine - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic oxide - Amine - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl 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