Compound Identification
SMILES
COC1=CC=C(NC(=O)CCN2CCN(CC2)S(=O)(=O)C2=CC=C(C=C2)C(C)C)C=C1
InChIKey
InChIKey=URKODVLFLJDXRJ-UHFFFAOYSA-N
Formula
C23H31N3O4S
Mass
445.58
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
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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 Anilides Benzenesulfonyl compounds Phenylpropanes Cumenes Methoxyanilines Anisoles Phenoxy compounds Methoxybenzenes N-arylamides Alkyl aryl ethers N-alkylpiperazines Organosulfonamides Sulfonyls Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Benzenesulfonamide - Phenylpropane - Cumene - Anilide - Methoxyaniline - Benzenesulfonyl group - Methoxybenzene - Phenol ether - N-arylamide - Phenoxy compound - Anisole - N-alkylpiperazine - Alkyl aryl ether - Piperazine - Organosulfonic acid amide - Benzenoid - 1,4-diazinane - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - Tertiary amine - Carboxamide group - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Amine - Organic nitrogen 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