Compound Identification
SMILES
COC(=O)C1=CC2=C(OC1=O)C=CC(NC(=O)[C@@H](NS(=O)(=O)C1=CC=C(C)C=C1)C(C)C)=C2
InChIKey
InChIKey=XYCDKWSVLDLPMF-FQEVSTJZSA-N
Formula
C23H24N2O7S
Mass
472.51
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
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Valine and derivatives
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Level 6
Alpha 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 - Alpha amino acids and derivatives
Direct Parent
Valine and derivatives
Alternative Parents
Alpha amino acid amides P-toluenesulfonamides Coumarins and derivatives 1-benzopyrans Benzenesulfonamides Benzenesulfonyl compounds N-arylamides Pyranones and derivatives Organosulfonamides Fatty amides Methyl esters Heteroaromatic compounds Aminosulfonyl compounds Secondary carboxylic acid amides Lactones Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Valine or derivatives - Alpha-amino acid amide - P-toluenesulfonamide - Coumarin - Benzenesulfonamide - Benzopyran - Tosyl compound - 1-benzopyran - Benzenesulfonyl group - N-arylamide - Pyranone - Toluene - Monocyclic benzene moiety - Fatty amide - Pyran - Organosulfonic acid amide - Fatty acyl - Benzenoid - Sulfonyl - Methyl ester - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available