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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-(4-fluorophenyl)-1-[[(2r,3s)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl]-1-methylurea

Preferred term

3-(4-fluorophenyl)-1-[[(2r,3s)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4-dihydro-2h-1,5-benzoxazocin-2-yl]methyl]-1-methylurea  

Type

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

Broader concept

charge

  • 0

formula

  • C31H33F4N5O5

inchi

  • InChI=1S/C31H33F4N5O5/c1-18-15-40(19(2)17-41)28(42)25-14-24(37-29(43)36-22-8-4-20(5-9-22)31(33,34)35)12-13-26(25)45-27(18)16-39(3)30(44)38-23-10-6-21(32)7-11-23/h4-14,18-19,27,41H,15-17H2,1-3H3,(H,38,44)(H2,36,37,43)/t18-,19+,27-/m0/s1

inchikey

  • RYXOQQNEEVIEQP-CUMRGQLISA-N

mass

  • 631.619

monoisotopicmass

  • 631.24178

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)C(=O)NC4=CC=C(C=C4)F)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:94892

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