Compound Identification
SMILES
CC(C)[C@@H](N1C[C@H](CN2CCC(CCS(=O)(=O)C3=NC=CN=C3)CC2)[C@H](C1)C1=CC(F)=CC=C1)C(O)=O
InChIKey
InChIKey=PIKSVQZEYANGQQ-GGBSJPMNSA-N
Formula
C27H37FN4O4S
Mass
532.68
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
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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
Phenylpyrrolidines D-alpha-amino acids Aralkylamines Fluorobenzenes Pyrazines Piperidines N-alkylpyrrolidines Aryl fluorides Sulfones Pyrroles Heteroaromatic compounds Trialkylamines Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organic oxides Carbonyl compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Valine or derivatives - 3-phenylpyrrolidine - Alpha-amino acid - D-alpha-amino acid - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Benzenoid - N-alkylpyrrolidine - Pyrazine - Piperidine - Monocyclic benzene moiety - Heteroaromatic compound - Sulfonyl - Sulfone - Pyrrolidine - Pyrrole - Amino acid - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organohalogen compound - Amine - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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