skip to main content

Chemistry, part 3

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

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

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C29H36FN3O3

inchi

  • InChI=1S/C29H36FN3O3/c1-20-16-33(21(2)19-34)29(35)26-14-24(12-11-22-9-6-10-25(30)13-22)15-31-28(26)36-27(20)18-32(3)17-23-7-4-5-8-23/h6,9-10,13-15,20-21,23,27,34H,4-5,7-8,16-19H2,1-3H3/t20-,21-,27-/m0/s1

inchikey

  • QJCUWZPLDSELBK-IZVMNLJQSA-N

mass

  • 493.614

monoisotopicmass

  • 493.27407

smiles

  • C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CC(=CC=C3)F)O[C@H]1CN(C)CC4CCCC4)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:126448

Download this concept:

RDF/XML TURTLE JSON-LD