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Chemistry, part 2

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Concept information

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

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C21H32BrN3O5S

inchi

  • InChI=1S/C21H32BrN3O5S/c1-14-11-25(15(2)13-26)31(28,29)20-9-8-16(22)10-18(20)30-19(14)12-24(3)21(27)23-17-6-4-5-7-17/h8-10,14-15,17,19,26H,4-7,11-13H2,1-3H3,(H,23,27)/t14-,15-,19-/m1/s1

inchikey

  • SZIKTFJCEPOTBZ-SPYBWZPUSA-N

mass

  • 518.466

monoisotopicmass

  • 517.12460

smiles

  • C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)Br)O[C@@H]1CN(C)C(=O)NC3CCCC3)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:110127

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