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Chemistry, part 2

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Concept information

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

Preferred term

(2s)-4-[(4s,5r)-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-5-(methylaminomethyl)-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

  • C19H28N2O5S

inchi

  • InChI=1S/C19H28N2O5S/c1-13-11-21(14(2)12-22)27(24,25)19-8-7-16(6-5-15(3)23)9-17(19)26-18(13)10-20-4/h7-9,13-15,18,20,22-23H,10-12H2,1-4H3/t13-,14-,15-,18-/m0/s1

inchikey

  • BBRSVMSGZNDGOR-XSWJXKHESA-N

mass

  • 396.503

monoisotopicmass

  • 396.17189

smiles

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

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:127384

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