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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)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-1-[(2r)-1-hydroxypropan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea

Preferred term

1-[(2s,3r)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-1-[(2r)-1-hydroxypropan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea  

Type

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

Broader concept

charge

  • 0

formula

  • C25H32F5N3O3

inchi

  • InChI=1S/C25H32F5N3O3/c1-16(23(36-4)14-32(3)13-18-11-20(26)7-10-22(18)27)12-33(17(2)15-34)24(35)31-21-8-5-19(6-9-21)25(28,29)30/h5-11,16-17,23,34H,12-15H2,1-4H3,(H,31,35)/t16-,17+,23-/m0/s1

inchikey

  • JTIGHJUHEGWKGG-MFEFFIJZSA-N

mass

  • 517.533

monoisotopicmass

  • 517.23638

smiles

  • C[C@@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@H](CN(C)CC2=C(C=CC(=C2)F)F)OC

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:102550

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