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

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C31H39F3N4O5

inchi

  • InChI=1S/C31H39F3N4O5/c1-19-16-38(20(2)18-39)29(41)25-15-24(35-28(40)21-7-5-4-6-8-21)13-14-26(25)43-27(19)17-37(3)30(42)36-23-11-9-22(10-12-23)31(32,33)34/h9-15,19-21,27,39H,4-8,16-18H2,1-3H3,(H,35,40)(H,36,42)/t19-,20-,27-/m0/s1

inchikey

  • AZWNSNCWAAAZSD-OSOCVKALSA-N

mass

  • 604.662

monoisotopicmass

  • 604.28725

smiles

  • C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3CCCCC3)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:124234

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