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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 > 3-cyclohexyl-1-[[(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]-1-methylurea
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > organohalogen compound > organofluorine compound > 3-cyclohexyl-1-[[(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]-1-methylurea
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > halogen molecular entity > halide > organohalogen compound > organofluorine compound > 3-cyclohexyl-1-[[(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]-1-methylurea
... > 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 > 3-cyclohexyl-1-[[(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]-1-methylurea

Preferred term

3-cyclohexyl-1-[[(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]-1-methylurea  

Type

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

Broader concept

charge

  • 0

formula

  • C30H37FN4O4

inchi

  • InChI=1S/C30H37FN4O4/c1-20-17-35(21(2)19-36)29(37)26-15-23(13-12-22-8-7-9-24(31)14-22)16-32-28(26)39-27(20)18-34(3)30(38)33-25-10-5-4-6-11-25/h7-9,14-16,20-21,25,27,36H,4-6,10-11,17-19H2,1-3H3,(H,33,38)/t20-,21+,27-/m0/s1

inchikey

  • QTWXHTQUMWQINH-ISCCLHIJSA-N

mass

  • 536.639

monoisotopicmass

  • 536.27988

smiles

  • C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CC(=CC=C3)F)O[C@H]1CN(C)C(=O)NC4CCCCC4)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:96403

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