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Chemistry, part 2

Content language

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Concept information

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

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C26H36N4O5S

inchi

  • InChI=1S/C26H36N4O5S/c1-18-15-30(19(2)17-31)36(33,34)25-11-10-20(21-7-6-12-27-14-21)13-23(25)35-24(18)16-29(3)26(32)28-22-8-4-5-9-22/h6-7,10-14,18-19,22,24,31H,4-5,8-9,15-17H2,1-3H3,(H,28,32)/t18-,19-,24+/m0/s1

inchikey

  • AOAVRGNJVMAOBU-AXHZCLLHSA-N

mass

  • 516.655

monoisotopicmass

  • 516.24064

smiles

  • C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CN=CC=C3)O[C@@H]1CN(C)C(=O)NC4CCCC4)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:119533

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