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Concept information

Preferred term

n-[(2s,3r,6s)-6-[2-[[(2,5-difluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-1,3-benzodioxole-5-carboxamide  

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(10-14)28-23(31)26-8-7-15-3-5-17(21(11-29)34-15)27-22(30)13-1-6-19-20(9-13)33-12-32-19/h1-2,4,6,9-10,15,17,21,29H,3,5,7-8,11-12H2,(H,27,30)(H2,26,28,31)/t15-,17+,21+/m0/s1

inchikey

  • KQJSIDVYPJWNIL-LUQKVYGDSA-N

mass

  • 477.459

monoisotopicmass

  • 477.17114

smiles

  • C1C[C@H]([C@H](O[C@@H]1CCNC(=O)NC2=C(C=CC(=C2)F)F)CO)NC(=O)C3=CC4=C(C=C3)OCO4

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:118789

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