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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > ureas > 1-[[(2s,3s)-8-bromo-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(2-fluorophenyl)-1-methylurea

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C22H26BrFN4O4

inchi

  • InChI=1S/C22H26BrFN4O4/c1-13-10-28(14(2)12-29)21(30)16-8-15(23)9-25-20(16)32-19(13)11-27(3)22(31)26-18-7-5-4-6-17(18)24/h4-9,13-14,19,29H,10-12H2,1-3H3,(H,26,31)/t13-,14+,19+/m0/s1

inchikey

  • FEPFVQGWSVEBSO-IQUTYRLHSA-N

mass

  • 509.369

monoisotopicmass

  • 508.11215

smiles

  • C[C@H]1CN(C(=O)C2=CC(=CN=C2O[C@@H]1CN(C)C(=O)NC3=CC=CC=C3F)Br)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:114017

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