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

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C31H40F3N5O5

inchi

  • InChI=1S/C31H40F3N5O5/c1-19-16-39(20(2)18-40)28(41)24-10-7-11-25(37-29(42)35-22-8-5-4-6-9-22)27(24)44-26(19)17-38(3)30(43)36-23-14-12-21(13-15-23)31(32,33)34/h7,10-15,19-20,22,26,40H,4-6,8-9,16-18H2,1-3H3,(H,36,43)(H2,35,37,42)/t19-,20+,26-/m0/s1

inchikey

  • DYMIOMKCTZAAFH-UNVFRBQDSA-N

mass

  • 619.676

monoisotopicmass

  • 619.29815

smiles

  • C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3CCCCC3)O[C@H]1CN(C)C(=O)NC4=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:113722

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