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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ether > aromatic ether > (2s)-4-[(4r,5s)-5-[[cyclohexylmethyl(methyl)amino]methyl]-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-8-yl]-3-butyn-2-ol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > aromatic ether > (2s)-4-[(4r,5s)-5-[[cyclohexylmethyl(methyl)amino]methyl]-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-8-yl]-3-butyn-2-ol
... > 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 > (2s)-4-[(4r,5s)-5-[[cyclohexylmethyl(methyl)amino]methyl]-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-8-yl]-3-butyn-2-ol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > (2s)-4-[(4r,5s)-5-[[cyclohexylmethyl(methyl)amino]methyl]-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-8-yl]-3-butyn-2-ol

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C26H40N2O5S

inchi

  • InChI=1S/C26H40N2O5S/c1-19-15-28(20(2)18-29)34(31,32)26-13-12-22(11-10-21(3)30)14-24(26)33-25(19)17-27(4)16-23-8-6-5-7-9-23/h12-14,19-21,23,25,29-30H,5-9,15-18H2,1-4H3/t19-,20-,21+,25-/m1/s1

inchikey

  • GRNMGBYBKFXPAP-NAZDKBRTSA-N

mass

  • 492.673

monoisotopicmass

  • 492.26579

smiles

  • C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#C[C@H](C)O)O[C@@H]1CN(C)CC3CCCCC3)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:113903

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