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CHEBI:123653 - N-[(2S,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-8-yl]cyclopropanecarboxamide

ChEBI IDCHEBI:123653
ChEBI NameN-[(2S,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-8-yl]cyclopropanecarboxamide
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DownloadsMolfile
FormulaC28H35N3O6
Net Charge0
Average Mass509.603
Monoisotopic Mass509.25259
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)C3CC3)ccc2O[C@@H]1CN(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C28H35N3O6/c1-17-12-31(18(2)15-32)28(34)22-11-21(29-27(33)20-5-6-20)7-9-23(22)37-26(17)14-30(3)13-19-4-8-24-25(10-19)36-16-35-24/h4,7-11,17-18,20,26,32H,5-6,12-16H2,1-3H3,(H,29,33)/t17-,18-,26+/m0/s1
InChIKeyBTLFULALILTTIG-QSAFDGGLSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,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-8-yl]cyclopropanecarboxamide (CHEBI:123653) is a benzodioxoles (CHEBI:38298)
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