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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-[(2r,3r)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]-3-[4-(trifluoromethyl)phenyl]urea

Preferred term

1-[(2r,3r)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]-3-[4-(trifluoromethyl)phenyl]urea  

Type

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

Broader concept

charge

  • 0

formula

  • C28H35F3N4O4

inchi

  • InChI=1S/C28H35F3N4O4/c1-17-13-35(18(2)16-36)26(37)22-5-4-6-23(25(22)39-24(17)15-34(3)14-19-7-8-19)33-27(38)32-21-11-9-20(10-12-21)28(29,30)31/h4-6,9-12,17-19,24,36H,7-8,13-16H2,1-3H3,(H2,32,33,38)/t17-,18-,24+/m1/s1

inchikey

  • DGVXOYJWIGFWKL-GGUMNFRJSA-N

mass

  • 548.598

monoisotopicmass

  • 548.26104

smiles

  • C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)O[C@H]1CN(C)CC4CC4)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:95413

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