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Concept information

Preferred term

n-(1,3-benzodioxol-5-ylmethyl)-2-[(2r,5s,6r)-5-[[(2,5-difluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]acetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C23H25F2N3O6

inchi

  • InChI=1S/C23H25F2N3O6/c24-14-2-4-16(25)18(8-14)28-23(31)27-17-5-3-15(34-21(17)11-29)9-22(30)26-10-13-1-6-19-20(7-13)33-12-32-19/h1-2,4,6-8,15,17,21,29H,3,5,9-12H2,(H,26,30)(H2,27,28,31)/t15-,17+,21+/m1/s1

inchikey

  • RFHDZNJROOVZQK-KUDFPVQQSA-N

mass

  • 477.459

monoisotopicmass

  • 477.17114

smiles

  • C1C[C@@H]([C@@H](O[C@H]1CC(=O)NCC2=CC3=C(C=C2)OCO3)CO)NC(=O)NC4=C(C=CC(=C4)F)F

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:123544

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