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CHEBI:126779 - N-[(2R,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-8-yl]-2-phenylacetamide

ChEBI IDCHEBI:126779
ChEBI NameN-[(2R,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-8-yl]-2-phenylacetamide
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DownloadsMolfile
FormulaC32H37N3O6
Net Charge0
Average Mass559.663
Monoisotopic Mass559.26824
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2O[C@H]1CN(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C32H37N3O6/c1-21-16-35(22(2)19-36)32(38)26-15-25(33-31(37)14-23-7-5-4-6-8-23)10-12-27(26)41-30(21)18-34(3)17-24-9-11-28-29(13-24)40-20-39-28/h4-13,15,21-22,30,36H,14,16-20H2,1-3H3,(H,33,37)/t21-,22+,30+/m1/s1
InChIKeyPGWILGQCTOMTBZ-DGIFUFQNSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,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-8-yl]-2-phenylacetamide (CHEBI:126779) is a acetamides (CHEBI:22160)
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