Compound Identification
SMILES
CC(C)(F)C(NC(C1=CC=C(C=C1)C1=CC=C(C=C1)S(C)(=O)=O)C(F)(F)F)C(=O)NCCNC1=CC=C(Cl)C=C1
InChIKey
InChIKey=VHRAKFGEFYMVSJ-UHFFFAOYSA-N
Formula
C28H30ClF4N3O3S
Mass
600.07
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 Biphenyls and derivatives Benzenesulfonyl compounds Phenylalkylamines Aniline and substituted anilines Nitrogen mustard compounds Secondary alkylarylamines Chlorobenzenes Aryl chlorides N-acyl amines Sulfones Secondary carboxylic acid amides Dialkylamines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Valine or derivatives - Alpha-amino acid amide - Biphenyl - Benzenesulfonyl group - Nitrogen mustard - Aniline or substituted anilines - Phenylalkylamine - Chlorobenzene - Secondary aliphatic/aromatic amine - Halobenzene - Aralkylamine - N-acyl-amine - Aryl halide - Aryl chloride - Benzenoid - Fatty amide - Fatty acyl - Monocyclic benzene moiety - Sulfonyl - Sulfone - Secondary carboxylic acid amide - Carboxamide group - Secondary amine - Secondary aliphatic amine - Alkyl fluoride - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Alkyl halide - 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