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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > n-[(2s,3r)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
organooxygen compound > n-[(2s,3r)-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C31H41F3N4O5

has_functional_parent

inchi

  • InChI=1S/C31H41F3N4O5/c1-21-17-38(22(2)20-39)30(41)26-16-25(35-29(40)10-11-37-12-14-42-15-13-37)8-9-27(26)43-28(21)19-36(3)18-23-4-6-24(7-5-23)31(32,33)34/h4-9,16,21-22,28,39H,10-15,17-20H2,1-3H3,(H,35,40)/t21-,22+,28-/m1/s1

inchikey

  • FBDVMTHRQHSDLA-RZIGYZOXSA-N

mass

  • 606.677

monoisotopicmass

  • 606.30290

smiles

  • C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCN3CCOCC3)O[C@@H]1CN(C)CC4=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:129906

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