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Chemistry, part 2

Content language

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Concept information

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

Preferred term

(2r)-2-[(4s,5r)-8-(3-cyclopentylprop-1-ynyl)-4-methyl-5-[[methyl(propyl)amino]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

  • C26H40N2O4S

inchi

  • InChI=1S/C26H40N2O4S/c1-5-15-27(4)18-25-20(2)17-28(21(3)19-29)33(30,31)26-14-13-23(16-24(26)32-25)12-8-11-22-9-6-7-10-22/h13-14,16,20-22,25,29H,5-7,9-11,15,17-19H2,1-4H3/t20-,21+,25-/m0/s1

inchikey

  • LJUASEIATGHWBE-BKSPAHHJSA-N

mass

  • 476.674

monoisotopicmass

  • 476.27088

smiles

  • CCCN(C)C[C@H]1[C@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C#CCC3CCCC3)[C@H](C)CO)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:103763

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