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Chemistry, part 2

Content language

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Concept information

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

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C22H32N2O5S

inchi

  • InChI=1S/C22H32N2O5S/c1-16-14-24(17(2)15-25)30(27,28)21-7-6-18(8-11-22(26)9-4-5-10-22)12-19(21)29-20(16)13-23-3/h6-7,12,16-17,20,23,25-26H,4-5,9-10,13-15H2,1-3H3/t16-,17+,20+/m0/s1

inchikey

  • LZCYHHOYYPSMEH-SQGPQFPESA-N

mass

  • 436.567

monoisotopicmass

  • 436.20319

smiles

  • C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3(CCCC3)O)O[C@@H]1CNC)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:95536

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