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Chemistry, part 1

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Concept information

organic aromatic compound > aromatic amine > 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2s,3r)-5-[(2r)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]urea
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > aromatic amine > 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2s,3r)-5-[(2r)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]urea
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > aromatic amine > 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2s,3r)-5-[(2r)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]urea

Preferred term

1-(3,5-dimethyl-4-isoxazolyl)-3-[(2s,3r)-5-[(2r)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-8-yl]urea  

Type

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

Broader concept

charge

  • 0

formula

  • C30H39N5O6

inchi

  • InChI=1S/C30H39N5O6/c1-18-14-35(19(2)17-36)29(37)25-13-23(31-30(38)32-28-20(3)33-41-21(28)4)9-12-26(25)40-27(18)16-34(5)15-22-7-10-24(39-6)11-8-22/h7-13,18-19,27,36H,14-17H2,1-6H3,(H2,31,32,38)/t18-,19-,27-/m1/s1

inchikey

  • BCKUAPRXEALVIM-DRGJWEBESA-N

mass

  • 565.662

monoisotopicmass

  • 565.29003

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)OC)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:124374

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