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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,3r)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-methoxyphenyl)urea

Preferred term

1-[(2s,3r)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-methoxyphenyl)urea  

Type

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

Broader concept

charge

  • 0

formula

  • C33H39F3N4O5

inchi

  • InChI=1S/C33H39F3N4O5/c1-21-17-40(22(2)20-41)31(42)16-24-15-27(38-32(43)37-26-9-12-28(44-4)13-10-26)11-14-29(24)45-30(21)19-39(3)18-23-5-7-25(8-6-23)33(34,35)36/h5-15,21-22,30,41H,16-20H2,1-4H3,(H2,37,38,43)/t21-,22-,30-/m1/s1

inchikey

  • BWUBMXZZYOWTMV-NPKFRGRUSA-N

mass

  • 628.683

monoisotopicmass

  • 628.28725

smiles

  • C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)O[C@@H]1CN(C)CC4=CC=C(C=C4)C(F)(F)F)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:129932

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