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Chemistry, part 1

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Concept information

organic aromatic compound > aromatic amine > (2r,3s)-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-8-(3-hydroxy-3-methylbut-1-ynyl)-5-[(2r)-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 > organic amino compound > aromatic amine > (2r,3s)-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-8-(3-hydroxy-3-methylbut-1-ynyl)-5-[(2r)-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 > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > aromatic amine > (2r,3s)-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-8-(3-hydroxy-3-methylbut-1-ynyl)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-6-one

Preferred term

(2r,3s)-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-8-(3-hydroxy-3-methylbut-1-ynyl)-5-[(2r)-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

  • C27H34FN3O4

inchi

  • InChI=1S/C27H34FN3O4/c1-18-14-31(19(2)17-32)26(33)23-12-20(9-10-27(3,4)34)13-29-25(23)35-24(18)16-30(5)15-21-7-6-8-22(28)11-21/h6-8,11-13,18-19,24,32,34H,14-17H2,1-5H3/t18-,19+,24-/m0/s1

inchikey

  • HVXCQDGXUZNQFT-GLDPYIMESA-N

mass

  • 483.576

monoisotopicmass

  • 483.25333

smiles

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

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:96609

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