Compound Identification
SMILES
COC(=O)C[C@H](N[S@](=O)C1=C(OC)C=CC2=CC=CC=C12)C1=CN=CC=C1
InChIKey
InChIKey=SMWBRHIRQNQDJE-CBZJRKILSA-N
Formula
C20H20N2O4S
Mass
384.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
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
Naphthalenes Anisoles Fatty acid esters Alkyl aryl ethers Pyridines and derivatives Methyl esters Heteroaromatic compounds Sulfinic acid amides Aminosulfinyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Naphthalene - Anisole - Phenol ether - Alkyl aryl ether - Fatty acid ester - Pyridine - Benzenoid - Fatty acyl - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Aminosulfinyl compound - Sulfinic acid amide - Sulfinic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Sulfinyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - 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