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Chemistry, part 2

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Concept information

organooxygen compound > oxacycle > benzodioxoles > 3-(1,3-benzodioxol-5-yl)-1-[[(2r,3s)-8-(3-hydroxyhex-1-ynyl)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > benzodioxoles > 3-(1,3-benzodioxol-5-yl)-1-[[(2r,3s)-8-(3-hydroxyhex-1-ynyl)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-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 heterocyclic compound > oxacycle > benzodioxoles > 3-(1,3-benzodioxol-5-yl)-1-[[(2r,3s)-8-(3-hydroxyhex-1-ynyl)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzodioxoles > 3-(1,3-benzodioxol-5-yl)-1-[[(2r,3s)-8-(3-hydroxyhex-1-ynyl)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzodioxoles > 3-(1,3-benzodioxol-5-yl)-1-[[(2r,3s)-8-(3-hydroxyhex-1-ynyl)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-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 heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzodioxoles > 3-(1,3-benzodioxol-5-yl)-1-[[(2r,3s)-8-(3-hydroxyhex-1-ynyl)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzodioxoles > 3-(1,3-benzodioxol-5-yl)-1-[[(2r,3s)-8-(3-hydroxyhex-1-ynyl)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea

Preferred term

3-(1,3-benzodioxol-5-yl)-1-[[(2r,3s)-8-(3-hydroxyhex-1-ynyl)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea  

Type

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

Broader concept

charge

  • 0

formula

  • C29H36N4O7

inchi

  • InChI=1S/C29H36N4O7/c1-5-6-22(35)9-7-20-11-23-27(30-13-20)40-26(18(2)14-33(28(23)36)19(3)16-34)15-32(4)29(37)31-21-8-10-24-25(12-21)39-17-38-24/h8,10-13,18-19,22,26,34-35H,5-6,14-17H2,1-4H3,(H,31,37)/t18-,19+,22?,26-/m0/s1

inchikey

  • VGYFAVFOCXCKID-WXCMXNBBSA-N

mass

  • 552.620

monoisotopicmass

  • 552.25840

smiles

  • CCCC(C#CC1=CC2=C(N=C1)O[C@H]([C@H](CN(C2=O)[C@H](C)CO)C)CN(C)C(=O)NC3=CC4=C(C=C3)OCO4)O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:95480

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