skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

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-(4-fluorophenyl)-3-[(2r,3r)-5-[(2s)-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]urea

Preferred term

1-(4-fluorophenyl)-3-[(2r,3r)-5-[(2s)-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]urea  

Type

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

Broader concept

charge

  • 0

formula

  • C32H36F4N4O4

inchi

  • InChI=1S/C32H36F4N4O4/c1-20-16-40(21(2)19-41)30(42)15-23-14-27(38-31(43)37-26-10-8-25(33)9-11-26)12-13-28(23)44-29(20)18-39(3)17-22-4-6-24(7-5-22)32(34,35)36/h4-14,20-21,29,41H,15-19H2,1-3H3,(H2,37,38,43)/t20-,21+,29+/m1/s1

inchikey

  • RAWKXIVYXKZPFJ-CGQTXMLISA-N

mass

  • 616.647

monoisotopicmass

  • 616.26727

smiles

  • C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)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:125868

Download this concept:

RDF/XML TURTLE JSON-LD