Compound Identification
SMILES
COC1=C(Cl)C=C(NCCNC(=O)C(NC(C2=CC=C(C=C2)C2=CC=C(C=C2)S(C)(=O)=O)C(F)(F)F)C(C)(C)F)C=C1
InChIKey
InChIKey=KPBDIWIIRDLVJK-UHFFFAOYSA-N
Formula
C29H32ClF4N3O4S
Mass
630.1
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
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Subclass
Amino acids, peptides, and analogues
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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 Aminophenyl ethers Benzenesulfonyl compounds Methoxyanilines Phenylalkylamines Phenoxy compounds Anisoles Methoxybenzenes Nitrogen mustard compounds Alkyl aryl ethers Chlorobenzenes Secondary alkylarylamines Aryl chlorides N-acyl amines Sulfones Secondary carboxylic acid amides Dialkylamines Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Valine or derivatives - Biphenyl - Alpha-amino acid amide - Methoxyaniline - Aminophenyl ether - Benzenesulfonyl group - Phenol ether - Nitrogen mustard - Aniline or substituted anilines - Phenylalkylamine - Phenoxy compound - Anisole - Methoxybenzene - Chlorobenzene - Aralkylamine - Secondary aliphatic/aromatic amine - Halobenzene - Alkyl aryl ether - Fatty amide - Aryl chloride - N-acyl-amine - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Aryl halide - Sulfonyl - Sulfone - Carboxamide group - Secondary carboxylic acid amide - Secondary aliphatic amine - Ether - Secondary amine - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Alkyl halide - Alkyl fluoride - 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