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CHEBI:130096 - 1-[(2R,3S)-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-(1-naphthalenyl)urea

ChEBI IDCHEBI:130096
ChEBI Name1-[(2R,3S)-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-(1-naphthalenyl)urea
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DownloadsMolfile
FormulaC35H38N4O6
Net Charge0
Average Mass610.711
Monoisotopic Mass610.27913
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)Nc3cccc4ccccc34)c2O[C@H]1CN(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C35H38N4O6/c1-22-17-39(23(2)20-40)34(41)27-11-7-13-29(37-35(42)36-28-12-6-9-25-8-4-5-10-26(25)28)33(27)45-32(22)19-38(3)18-24-14-15-30-31(16-24)44-21-43-30/h4-16,22-23,32,40H,17-21H2,1-3H3,(H2,36,37,42)/t22-,23-,32-/m0/s1
InChIKeyLDFNDVLWJVMLLU-HYUGZUBYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2R,3S)-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-(1-naphthalenyl)urea (CHEBI:130096) is a naphthalenes (CHEBI:25477)
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