Compound Identification
SMILES
O=C1C2CNNC2N=C(SCC2=CC3=C(OCO3)C=C2)N1C1=CC=CC=C1
InChIKey
InChIKey=LVWGKCQZCXLAPW-UHFFFAOYSA-N
Formula
C19H18N4O3S
Mass
382.44
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
Pyrazolopyrimidines Benzodioxoles Benzene and substituted derivatives Hydropyrimidines Pyrazolidines Pyrazoles Isothioureas Acetals Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Azacyclic compounds Alkylhydrazines Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Benzodioxole - Pyrazolopyrimidine - Monocyclic benzene moiety - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Pyrimidine - Benzenoid - Pyrazolidine - Pyrazole - Isothiourea - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Alkylhydrazine - Sulfenyl compound - Oxacycle - Azacycle - Acetal - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrazine derivative - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic 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