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Concept information

Preferred term

n-[(2s,3s,6s)-2-(hydroxymethyl)-6-[2-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]oxan-3-yl]pyridine-3-carboxamide  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C22H25F3N4O4

inchi

  • InChI=1S/C22H25F3N4O4/c23-22(24,25)15-3-5-16(6-4-15)28-21(32)27-11-9-17-7-8-18(19(13-30)33-17)29-20(31)14-2-1-10-26-12-14/h1-6,10,12,17-19,30H,7-9,11,13H2,(H,29,31)(H2,27,28,32)/t17-,18-,19+/m0/s1

inchikey

  • JHFKDWZHMFMOKL-GBESFXJTSA-N

mass

  • 466.454

monoisotopicmass

  • 466.18279

smiles

  • C1C[C@@H]([C@H](O[C@@H]1CCNC(=O)NC2=CC=C(C=C2)C(F)(F)F)CO)NC(=O)C3=CN=CC=C3

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:98385

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