Compound Identification
SMILES
O=C(CCNCCCC1=CC=C(OCCCC2=CC=CC=C2)C=C1)NS(=O)(=O)C1=CC=CC(=C1)C#N
InChIKey
InChIKey=PMYLQTKYZXWBMX-UHFFFAOYSA-N
Formula
C28H31N3O4S
Mass
505.63
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
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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
Phenylpropylamines Benzenesulfonamides Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Benzonitriles Aralkylamines Alkyl aryl ethers Organosulfonic acids and derivatives Aminosulfonyl compounds Nitriles Dialkylamines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - Benzenesulfonamide - Phenylpropylamine - Benzenesulfonyl group - Phenoxy compound - Benzonitrile - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Secondary amine - Secondary aliphatic amine - Ether - Carbonitrile - Nitrile - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic 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