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

Preferred term

3-(4-fluorophenyl)-1-[[(4r,5s)-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-8-(2-methylphenyl)-1,1-dioxo-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

  • C29H34FN3O5S

inchi

  • InChI=1S/C29H34FN3O5S/c1-19-7-5-6-8-25(19)22-9-14-28-26(15-22)38-27(20(2)16-33(21(3)18-34)39(28,36)37)17-32(4)29(35)31-24-12-10-23(30)11-13-24/h5-15,20-21,27,34H,16-18H2,1-4H3,(H,31,35)/t20-,21-,27-/m1/s1

inchikey

  • RIEPFGYATXCXRE-LGVUCKNBSA-N

mass

  • 555.663

monoisotopicmass

  • 555.22032

smiles

  • C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=CC=C3C)O[C@@H]1CN(C)C(=O)NC4=CC=C(C=C4)F)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:96302

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