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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 > n-[[(2r,3s)-8-[2-(3-fluorophenyl)ethynyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-n-methylmethanesulfonamide
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > organohalogen compound > organofluorine compound > n-[[(2r,3s)-8-[2-(3-fluorophenyl)ethynyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-n-methylmethanesulfonamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > halogen molecular entity > halide > organohalogen compound > organofluorine compound > n-[[(2r,3s)-8-[2-(3-fluorophenyl)ethynyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-n-methylmethanesulfonamide
... > 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 > n-[[(2r,3s)-8-[2-(3-fluorophenyl)ethynyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-n-methylmethanesulfonamide

Preferred term

n-[[(2r,3s)-8-[2-(3-fluorophenyl)ethynyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-n-methylmethanesulfonamide  

Type

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

Broader concept

charge

  • 0

formula

  • C24H28FN3O5S

inchi

  • InChI=1S/C24H28FN3O5S/c1-16-13-28(17(2)15-29)24(30)21-11-19(9-8-18-6-5-7-20(25)10-18)12-26-23(21)33-22(16)14-27(3)34(4,31)32/h5-7,10-12,16-17,22,29H,13-15H2,1-4H3/t16-,17+,22-/m0/s1

inchikey

  • XOGNINPAOVJVSL-JKSBSHDWSA-N

mass

  • 489.562

monoisotopicmass

  • 489.17337

smiles

  • C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CC(=CC=C3)F)O[C@H]1CN(C)S(=O)(=O)C)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:106240

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