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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > organohalogen compound > organofluorine compound > (trifluoromethyl)benzenes > 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2s,3s)-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-10-yl]urea
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > (trifluoromethyl)benzenes > 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2s,3s)-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-10-yl]urea
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > (trifluoromethyl)benzenes > 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2s,3s)-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-10-yl]urea
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > (trifluoromethyl)benzenes > 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2s,3s)-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-10-yl]urea
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > (trifluoromethyl)benzenes > 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2s,3s)-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-10-yl]urea
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > (trifluoromethyl)benzenes > 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2s,3s)-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-10-yl]urea
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > (trifluoromethyl)benzenes > 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2s,3s)-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-10-yl]urea

Preferred term

1-(3,5-dimethyl-4-isoxazolyl)-3-[(2s,3s)-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-10-yl]urea  

Type

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

Broader concept

charge

  • 0

formula

  • C30H36F3N5O5

inchi

  • InChI=1S/C30H36F3N5O5/c1-17-13-38(18(2)16-39)28(40)23-7-6-8-24(34-29(41)35-26-19(3)36-43-20(26)4)27(23)42-25(17)15-37(5)14-21-9-11-22(12-10-21)30(31,32)33/h6-12,17-18,25,39H,13-16H2,1-5H3,(H2,34,35,41)/t17-,18-,25+/m0/s1

inchikey

  • RQWZPZKMXFSKNS-DPOKWSEZSA-N

mass

  • 603.634

monoisotopicmass

  • 603.26685

smiles

  • C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=C(ON=C3C)C)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:123775

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