Compound Identification
SMILES
CCC1=C(SC(CC2=CC=CC=N2)=N1)C1CCN(CC2CN(CC2C2=CC(F)=CC=C2)C(C(C)C)C(O)=O)CC1
InChIKey
InChIKey=CJDYSHCOUVAKPS-UHFFFAOYSA-N
Formula
C32H41FN4O2S
Mass
564.76
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
Phenylpyrrolidines Alpha amino acids 2,4,5-trisubstituted thiazoles Aralkylamines Fluorobenzenes Pyridines and derivatives Piperidines N-alkylpyrrolidines Aryl fluorides Pyrroles Heteroaromatic compounds Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Valine or derivatives - 3-phenylpyrrolidine - Alpha-amino acid - 2,4,5-trisubstituted 1,3-thiazole - Halobenzene - Fluorobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Piperidine - Pyridine - N-alkylpyrrolidine - Benzenoid - Monocyclic benzene moiety - Thiazole - Pyrrole - Pyrrolidine - Heteroaromatic compound - Azole - Tertiary amine - Tertiary aliphatic amine - Amino acid - Azacycle - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organohalogen compound - Organofluoride - Aromatic heteromonocyclic 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