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Chemistry, part 2

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Concept information

organooxygen compound > ether > aromatic ether > 1-[[(4s,5r)-8-(1-cyclopentenyl)-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propylurea
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > aromatic ether > 1-[[(4s,5r)-8-(1-cyclopentenyl)-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propylurea
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > 1-[[(4s,5r)-8-(1-cyclopentenyl)-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propylurea
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > 1-[[(4s,5r)-8-(1-cyclopentenyl)-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propylurea

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C24H37N3O5S

inchi

  • InChI=1S/C24H37N3O5S/c1-5-12-25-24(29)26(4)15-22-17(2)14-27(18(3)16-28)33(30,31)23-11-10-20(13-21(23)32-22)19-8-6-7-9-19/h8,10-11,13,17-18,22,28H,5-7,9,12,14-16H2,1-4H3,(H,25,29)/t17-,18+,22-/m0/s1

inchikey

  • UDSHYHUEGCAODY-SVMVAKDDSA-N

mass

  • 479.635

monoisotopicmass

  • 479.24539

smiles

  • CCCNC(=O)N(C)C[C@H]1[C@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C3=CCCC3)[C@H](C)CO)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:109873

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