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Chemistry, part 1

Content language

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Concept information

organic aromatic compound > aromatic amine > (2r,3s)-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-8-(3-hydroxyhex-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-[[(4-fluorophenyl)methyl-methylamino]methyl]-8-(3-hydroxyhex-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-[[(4-fluorophenyl)methyl-methylamino]methyl]-8-(3-hydroxyhex-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-[[(4-fluorophenyl)methyl-methylamino]methyl]-8-(3-hydroxyhex-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

  • C28H36FN3O4

inchi

  • InChI=1S/C28H36FN3O4/c1-5-6-24(34)12-9-22-13-25-27(30-14-22)36-26(19(2)15-32(28(25)35)20(3)18-33)17-31(4)16-21-7-10-23(29)11-8-21/h7-8,10-11,13-14,19-20,24,26,33-34H,5-6,15-18H2,1-4H3/t19-,20+,24?,26-/m0/s1

inchikey

  • YUXSENMZTSZBGU-QUWXJRFASA-N

mass

  • 497.603

monoisotopicmass

  • 497.26898

smiles

  • CCCC(C#CC1=CC2=C(N=C1)O[C@H]([C@H](CN(C2=O)[C@H](C)CO)C)CN(C)CC3=CC=C(C=C3)F)O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:119632

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