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Chemistry, part 2

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Concept information

organooxygen compound > oxacycle > benzodioxoles > 1-[(2s,3r)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]-3-cyclohexylurea
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > benzodioxoles > 1-[(2s,3r)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]-3-cyclohexylurea
... > 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 heterocyclic compound > oxacycle > benzodioxoles > 1-[(2s,3r)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]-3-cyclohexylurea
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzodioxoles > 1-[(2s,3r)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]-3-cyclohexylurea
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzodioxoles > 1-[(2s,3r)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]-3-cyclohexylurea
... > 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 heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzodioxoles > 1-[(2s,3r)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]-3-cyclohexylurea
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzodioxoles > 1-[(2s,3r)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]-3-cyclohexylurea

Preferred term

1-[(2s,3r)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-1,5-benzoxazocin-10-yl]-3-cyclohexylurea  

Type

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

Broader concept

charge

  • 0

formula

  • C31H42N4O6

inchi

  • InChI=1S/C31H42N4O6/c1-20-15-35(21(2)18-36)30(37)24-10-7-11-25(33-31(38)32-23-8-5-4-6-9-23)29(24)41-28(20)17-34(3)16-22-12-13-26-27(14-22)40-19-39-26/h7,10-14,20-21,23,28,36H,4-6,8-9,15-19H2,1-3H3,(H2,32,33,38)/t20-,21+,28-/m1/s1

inchikey

  • QXBUWZYZXJXLTK-PHVLTXCSSA-N

mass

  • 566.690

monoisotopicmass

  • 566.31044

smiles

  • C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3CCCCC3)O[C@@H]1CN(C)CC4=CC5=C(C=C4)OCO5)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:111733

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