Compound Identification
SMILES
O=C(CCNC1=NS(=O)(=O)C2=CC=CC=C12)NCC1=NN=C2C=CC=CN12
InChIKey
InChIKey=LSBHDSWLPRHKSI-UHFFFAOYSA-N
Formula
C17H16N6O3S
Mass
384.41
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
-
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
Triazolopyridines Benzothiazoles Pyridines and derivatives Imidolactams Benzenoids Triazoles Organosulfonic acids and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Amidines Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - 1,2-benzothiazole - Triazolopyridine - Pyridine - Imidolactam - Benzenoid - Azole - Heteroaromatic compound - 1,2,4-triazole - Triazole - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Amidine - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Amine - 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