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Chemistry, part 2

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Concept information

organooxygen compound > oxacycle > benzodioxoles > n-[(2s,3r)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > benzodioxoles > n-[(2s,3r)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide
... > 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 > n-[(2s,3r)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzodioxoles > n-[(2s,3r)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzodioxoles > n-[(2s,3r)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide
... > 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 > n-[(2s,3r)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzodioxoles > n-[(2s,3r)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide

Preferred term

n-[(2s,3r)-2-[[[(1,3-benzodioxol-5-ylamino)-oxomethyl]-methylamino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]-4,4,4-trifluorobutanamide  

Type

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

Broader concept

charge

  • 0

formula

  • C28H33F3N4O7

inchi

  • InChI=1S/C28H33F3N4O7/c1-16-12-35(17(2)14-36)26(38)20-10-18(32-25(37)8-9-28(29,30)31)4-6-21(20)42-24(16)13-34(3)27(39)33-19-5-7-22-23(11-19)41-15-40-22/h4-7,10-11,16-17,24,36H,8-9,12-15H2,1-3H3,(H,32,37)(H,33,39)/t16-,17-,24-/m1/s1

inchikey

  • FZONNXCMVIPZJC-HOZJOUCCSA-N

mass

  • 594.581

monoisotopicmass

  • 594.23013

smiles

  • C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCC(F)(F)F)O[C@@H]1CN(C)C(=O)NC3=CC4=C(C=C3)OCO4)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:124587

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