CHEBI:177547 - Velneperit

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Velneperit
ChEBI ID CHEBI:177547
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H24F3N3O3S
Net Charge 0
Average Mass 407.450
Monoisotopic Mass 407.14905
InChI InChI=1S/C17H24F3N3O3S/c1-16(2,3)27(25,26)23-13-7-4-11(5-8-13)15(24)22-14-9-6-12(10-21-14)17(18,19)20/h6,9-11,13,23H,4-5,7-8H2,1-3H3,(H,21,22,24)
InChIKey WGEWUYACXPEFPO-UHFFFAOYSA-N
SMILES S(=O)(=O)(NC1CCC(CC1)C(=O)NC2=NC=C(C=C2)C(F)(F)F)C(C)(C)C
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in Sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing Velneperit (CHEBI:177547) has functional parent δ-amino acid (CHEBI:35931)
Velneperit (CHEBI:177547) is a organonitrogen compound (CHEBI:35352)
Velneperit (CHEBI:177547) is a organooxygen compound (CHEBI:36963)
IUPAC Name
4-(tert-butylsulonylamino)-N-[5-(triluoromethyl)pyridin-2-yl]cyclohexane-1-carboxamide
Manual Xrefs Databases
19315274 ChemSpider
D08026 KEGG DRUG
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