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Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

1-(2,5-difluorophenyl)-3-[2-[(2s,5s,6s)-6-(hydroxymethyl)-5-[(3-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]urea  

Type

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

Broader concept

charge

  • 0

formula

  • C22H27F2N3O5S

inchi

  • InChI=1S/C22H27F2N3O5S/c1-14-3-2-4-17(11-14)33(30,31)27-19-8-6-16(32-21(19)13-28)9-10-25-22(29)26-20-12-15(23)5-7-18(20)24/h2-5,7,11-12,16,19,21,27-28H,6,8-10,13H2,1H3,(H2,25,26,29)/t16-,19-,21+/m0/s1

inchikey

  • GELVUGAWQDMXAC-NBHGPNQESA-N

mass

  • 483.531

monoisotopicmass

  • 483.16395

smiles

  • CC1=CC(=CC=C1)S(=O)(=O)N[C@H]2CC[C@H](O[C@@H]2CO)CCNC(=O)NC3=C(C=CC(=C3)F)F

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:118328

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