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Chemistry, part 2

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Concept information

organooxygen compound > ether > aromatic ether > 1-[[(2r,3s)-8-(2-cyclopropylethynyl)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > aromatic ether > 1-[[(2r,3s)-8-(2-cyclopropylethynyl)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
... > 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-[[(2r,3s)-8-(2-cyclopropylethynyl)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > 1-[[(2r,3s)-8-(2-cyclopropylethynyl)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea

Preferred term

1-[[(2r,3s)-8-(2-cyclopropylethynyl)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea  

Type

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

Broader concept

charge

  • 0

formula

  • C24H34N4O4

inchi

  • InChI=1S/C24H34N4O4/c1-15(2)26-24(31)27(5)13-21-16(3)12-28(17(4)14-29)23(30)20-10-19(9-8-18-6-7-18)11-25-22(20)32-21/h10-11,15-18,21,29H,6-7,12-14H2,1-5H3,(H,26,31)/t16-,17-,21-/m0/s1

inchikey

  • MNKHAAOLWRLKCW-FIKGOQFSSA-N

mass

  • 442.552

monoisotopicmass

  • 442.25801

smiles

  • C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3CC3)O[C@H]1CN(C)C(=O)NC(C)C)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:96331

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