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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > ureas > 3-(2-fluorophenyl)-1-[[(4s,5r)-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-1-methylurea

Preferred term

3-(2-fluorophenyl)-1-[[(4s,5r)-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-1-methylurea  

Type

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

Broader concept

charge

  • 0

formula

  • C27H34FN3O5S

inchi

  • InChI=1S/C27H34FN3O5S/c1-5-6-7-10-21-13-14-26-24(15-21)36-25(19(2)16-31(20(3)18-32)37(26,34)35)17-30(4)27(33)29-23-12-9-8-11-22(23)28/h8-9,11-15,19-20,25,32H,5-6,16-18H2,1-4H3,(H,29,33)/t19-,20-,25-/m0/s1

inchikey

  • ZRJLNIRQYSTGIF-RLSLOFABSA-N

mass

  • 531.641

monoisotopicmass

  • 531.22032

smiles

  • CCCC#CC1=CC2=C(C=C1)S(=O)(=O)N(C[C@@H]([C@@H](O2)CN(C)C(=O)NC3=CC=CC=C3F)C)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:96268

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