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CHEBI:126828 - N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide

ChEBI IDCHEBI:126828
ChEBI NameN-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide
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DownloadsMolfile
FormulaC30H42N4O6
Net Charge0
Average Mass554.688
Monoisotopic Mass554.31044
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCCN(C)C)ccc2O[C@H]1CN(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C30H42N4O6/c1-20-15-34(21(2)18-35)30(37)24-14-23(31-29(36)7-6-12-32(3)4)9-11-25(24)40-28(20)17-33(5)16-22-8-10-26-27(13-22)39-19-38-26/h8-11,13-14,20-21,28,35H,6-7,12,15-19H2,1-5H3,(H,31,36)/t20-,21-,28+/m1/s1
InChIKeyQIAXFYSMNZCFQH-CJYOKPGZSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide (CHEBI:126828) is a benzodioxoles (CHEBI:38298)
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