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Chemistry, part 2

Content language

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Concept information

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

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C22H28BrN3O5S

inchi

  • InChI=1S/C22H28BrN3O5S/c1-15-12-26(16(2)14-27)32(29,30)21-8-7-17(23)10-19(21)31-20(15)13-25(3)22(28)11-18-6-4-5-9-24-18/h4-10,15-16,20,27H,11-14H2,1-3H3/t15-,16-,20-/m0/s1

inchikey

  • VNTYMDDKAMTNEX-FTRWYGJKSA-N

mass

  • 526.445

monoisotopicmass

  • 525.09330

smiles

  • C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)Br)O[C@H]1CN(C)C(=O)CC3=CC=CC=N3)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:96282

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