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Chemistry, part 1

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Concept information

organic aromatic compound > aromatic amine > (2s)-2-[(4s,5r)-8-(1-cyclohexenyl)-5-[[(2-fluorophenyl)methyl-methylamino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-2-yl]-1-propanol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > aromatic amine > (2s)-2-[(4s,5r)-8-(1-cyclohexenyl)-5-[[(2-fluorophenyl)methyl-methylamino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-2-yl]-1-propanol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > aromatic amine > (2s)-2-[(4s,5r)-8-(1-cyclohexenyl)-5-[[(2-fluorophenyl)methyl-methylamino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-2-yl]-1-propanol

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C28H37FN2O4S

inchi

  • InChI=1S/C28H37FN2O4S/c1-20-16-31(21(2)19-32)36(33,34)28-14-13-23(22-9-5-4-6-10-22)15-26(28)35-27(20)18-30(3)17-24-11-7-8-12-25(24)29/h7-9,11-15,20-21,27,32H,4-6,10,16-19H2,1-3H3/t20-,21-,27-/m0/s1

inchikey

  • PXFBSPNBWQCPHK-IZVMNLJQSA-N

mass

  • 516.670

monoisotopicmass

  • 516.24581

smiles

  • C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCCC3)O[C@H]1CN(C)CC4=CC=CC=C4F)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:131131

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