Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C(CC(O)=O)NS(=O)(=O)C1=CC=CC2=NSN=C12
InChIKey
InChIKey=KGGWBRHSXYJWQF-UHFFFAOYSA-N
Formula
C17H17N3O6S2
Mass
423.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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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
Phenylpropanoic acids Dimethoxybenzenes Benzothiadiazoles Phenoxy compounds Anisoles Alkyl aryl ethers Organosulfonamides Thiadiazoles Aminosulfonyl compounds Heteroaromatic compounds Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - 3-phenylpropanoic-acid - O-dimethoxybenzene - Dimethoxybenzene - 2,1,3-benzothiadiazole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Azole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Thiadiazole - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - 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