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Chemistry, part 2

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Concept information

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

Preferred term

(2s)-2-[(4r,5r)-5-[[cyclopentylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-8-[2-(3-pyridinyl)ethynyl]-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

  • C28H37N3O4S

inchi

  • InChI=1S/C28H37N3O4S/c1-21-17-31(22(2)20-32)36(33,34)28-13-12-23(10-11-24-9-6-14-29-16-24)15-26(28)35-27(21)19-30(3)18-25-7-4-5-8-25/h6,9,12-16,21-22,25,27,32H,4-5,7-8,17-20H2,1-3H3/t21-,22+,27+/m1/s1

inchikey

  • VXDFRUAWHFSTRR-VHSZZVNMSA-N

mass

  • 511.678

monoisotopicmass

  • 511.25048

smiles

  • C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3=CN=CC=C3)O[C@H]1CN(C)CC4CCCC4)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:103719

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