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

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C29H39N3O6S

inchi

  • InChI=1S/C29H39N3O6S/c1-20(2)8-7-9-23-10-15-28-26(16-23)38-27(21(3)17-32(22(4)19-33)39(28,35)36)18-31(5)29(34)30-24-11-13-25(37-6)14-12-24/h10-16,20-22,27,33H,8,17-19H2,1-6H3,(H,30,34)/t21-,22+,27+/m1/s1

inchikey

  • JVNQANUBSNFBGV-VHSZZVNMSA-N

mass

  • 557.704

monoisotopicmass

  • 557.25596

smiles

  • C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CCC(C)C)O[C@H]1CN(C)C(=O)NC3=CC=C(C=C3)OC)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:95674

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