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

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C27H33FN4O4

inchi

  • InChI=1S/C27H33FN4O4/c1-17-14-32(18(2)16-33)26(34)23-11-20(19-7-4-5-8-19)13-29-25(23)36-24(17)15-31(3)27(35)30-22-10-6-9-21(28)12-22/h6-7,9-13,17-18,24,33H,4-5,8,14-16H2,1-3H3,(H,30,35)/t17-,18-,24+/m0/s1

inchikey

  • SHPIGGYHGMASQB-LLJLJFOGSA-N

mass

  • 496.575

monoisotopicmass

  • 496.24858

smiles

  • C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CCCC3)O[C@@H]1CN(C)C(=O)NC4=CC(=CC=C4)F)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:119633

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