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

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C29H30F2N4O5S

inchi

  • InChI=1S/C29H30F2N4O5S/c1-18-15-35(19(2)17-36)41(38,39)28-10-7-22(21-6-4-5-20(11-21)14-32)12-26(28)40-27(18)16-34(3)29(37)33-25-13-23(30)8-9-24(25)31/h4-13,18-19,27,36H,15-17H2,1-3H3,(H,33,37)/t18-,19+,27+/m0/s1

inchikey

  • KZMWOMHQUKXWRI-DSNGTPCMSA-N

mass

  • 584.636

monoisotopicmass

  • 584.19050

smiles

  • C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=CC(=C3)C#N)O[C@@H]1CN(C)C(=O)NC4=C(C=CC(=C4)F)F)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:106398

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