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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > halogen molecular entity > fluorine molecular entity > organofluorine compound > 2-[(3r,6as,8r,10as)-3-hydroxy-1-(1-oxopropyl)-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-[(3,5-difluorophenyl)methyl]acetamide
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > organohalogen compound > organofluorine compound > 2-[(3r,6as,8r,10as)-3-hydroxy-1-(1-oxopropyl)-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-[(3,5-difluorophenyl)methyl]acetamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > halogen molecular entity > halide > organohalogen compound > organofluorine compound > 2-[(3r,6as,8r,10as)-3-hydroxy-1-(1-oxopropyl)-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-[(3,5-difluorophenyl)methyl]acetamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organohalogen compound > organofluorine compound > 2-[(3r,6as,8r,10as)-3-hydroxy-1-(1-oxopropyl)-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-[(3,5-difluorophenyl)methyl]acetamide

Preferred term

2-[(3r,6as,8r,10as)-3-hydroxy-1-(1-oxopropyl)-3,4,6,6a,8,9,10,10a-octahydro-2h-pyrano[2,3-c][1,5]oxazocin-8-yl]-n-[(3,5-difluorophenyl)methyl]acetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C21H28F2N2O5

inchi

  • InChI=1S/C21H28F2N2O5/c1-2-21(28)25-10-16(26)11-29-12-19-18(25)4-3-17(30-19)8-20(27)24-9-13-5-14(22)7-15(23)6-13/h5-7,16-19,26H,2-4,8-12H2,1H3,(H,24,27)/t16-,17-,18+,19-/m1/s1

inchikey

  • LJZGTTWSAOWWCB-AKHDSKFASA-N

mass

  • 426.455

monoisotopicmass

  • 426.19663

smiles

  • CCC(=O)N1C[C@H](COC[C@@H]2[C@@H]1CC[C@@H](O2)CC(=O)NCC3=CC(=CC(=C3)F)F)O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:100187

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