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CHEBI:124275 - 1-(1,3-benzodioxol-5-yl)-3-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea

ChEBI IDCHEBI:124275
ChEBI Name1-(1,3-benzodioxol-5-yl)-3-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea
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DownloadsMolfile
FormulaC31H42N4O6
Net Charge0
Average Mass566.699
Monoisotopic Mass566.31044
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccc4c(c3)OCO4)c2O[C@@H]1CN(C)CC1CCCCC1
InChIInChI=1S/C31H42N4O6/c1-20-15-35(21(2)18-36)30(37)24-10-7-11-25(33-31(38)32-23-12-13-26-27(14-23)40-19-39-26)29(24)41-28(20)17-34(3)16-22-8-5-4-6-9-22/h7,10-14,20-22,28,36H,4-6,8-9,15-19H2,1-3H3,(H2,32,33,38)/t20-,21-,28-/m1/s1
InChIKeyKBZQIAXZFNHUTI-UMQWNRPGSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(1,3-benzodioxol-5-yl)-3-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea (CHEBI:124275) is a benzodioxoles (CHEBI:38298)
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