Compound Identification
SMILES
CC1=CC=CC(=C1)C1=NOC(CNC(=O)CCNS(C)(=O)=O)=N1
InChIKey
InChIKey=TUVLGNIBTLXDHD-UHFFFAOYSA-N
Formula
C14H18N4O4S
Mass
338.38
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
Phenyloxadiazoles Toluenes Organosulfonamides Organic sulfonamides Heteroaromatic compounds Aminosulfonyl compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - Beta amino acid or derivatives - Toluene - Organic sulfonic acid amide - Organosulfonic acid amide - Monocyclic benzene moiety - Benzenoid - Organic sulfonic acid or derivatives - 1,2,4-oxadiazole - Oxadiazole - Aminosulfonyl compound - Heteroaromatic compound - Sulfonyl - Azole - Organosulfonic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic oxygen compound - 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