Compound Identification
SMILES
COC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)NCC1=CC2=C(OCO2)C=C1)C(C)C
InChIKey
InChIKey=CCMQYFYMONPKBK-UHFFFAOYSA-N
Formula
C21H26N2O6S
Mass
434.51
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 Benzenesulfonyl compounds Benzodioxoles Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers N-acyl amines Organosulfonamides Aminosulfonyl compounds Secondary carboxylic acid amides Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Benzodioxole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - N-acyl-amine - Organosulfonic acid amide - Benzenoid - Fatty acyl - Fatty amide - Aminosulfonyl compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Ether - Acetal - Oxacycle - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur 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