Compound Identification
SMILES
COC(=O)C1=CC=CC=C1S(=O)(=O)N(CCC(=O)NO)CC1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=DIWJRFUUZBDXIX-UHFFFAOYSA-N
Formula
C19H20N2O8S
Mass
436.44
Taxonomic Classification
Taxonomy Tree
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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
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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
Benzenesulfonamides Benzoic acid esters Benzenesulfonyl compounds Benzodioxoles Benzoyl derivatives Organosulfonamides Aminosulfonyl compounds Methyl esters Hydroxamic acids Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Benzenesulfonamide - Benzoate ester - Benzodioxole - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methyl ester - Hydroxamic acid - Carboxylic acid ester - Organoheterocyclic compound - Acetal - Oxacycle - Monocarboxylic acid or derivatives - Organosulfur compound - Carbonyl group - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen 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