Compound Identification
SMILES
CCS(=O)(=O)N[C@@H](C(C)C)C(=O)NCCC1=CC(OC)=C(OCC(=C)C2=CC=CC=C2F)C=C1
InChIKey
InChIKey=ZIMQMIARPLTSQR-DEOSSOPVSA-N
Formula
C25H33FN2O5S
Mass
492.61
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
Alpha amino acids and derivatives
- Level 7 Valine and derivatives
-
Level 6
Alpha amino acids and derivatives
-
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 Styrenes Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Fluorobenzenes Organosulfonamides Aryl fluorides Organic sulfonamides N-acyl amines Aminosulfonyl compounds Secondary carboxylic acid amides Organofluorides Carbonyl compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Valine or derivatives - Alpha-amino acid amide - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Styrene - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aryl fluoride - N-acyl-amine - Fatty acyl - Fatty amide - Monocyclic benzene moiety - Aryl halide - Organosulfonic acid amide - Organic sulfonic acid amide - Benzenoid - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carboxamide group - Secondary carboxylic acid amide - Ether - Organofluoride - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic 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