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

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C27H33FN4O4

inchi

  • InChI=1S/C27H33FN4O4/c1-5-6-7-9-20-12-23-25(29-14-20)36-24(18(2)15-32(26(23)34)19(3)17-33)16-31(4)27(35)30-22-11-8-10-21(28)13-22/h8,10-14,18-19,24,33H,5-6,15-17H2,1-4H3,(H,30,35)/t18-,19+,24-/m1/s1

inchikey

  • QSIOMQGNLKPVMQ-YDIMBITNSA-N

mass

  • 496.575

monoisotopicmass

  • 496.24858

smiles

  • CCCC#CC1=CC2=C(N=C1)O[C@@H]([C@@H](CN(C2=O)[C@@H](C)CO)C)CN(C)C(=O)NC3=CC(=CC=C3)F

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:119647

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