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CHEBI:124805 - N-[(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]-2-pyrazinecarboxamide

ChEBI IDCHEBI:124805
ChEBI NameN-[(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]-2-pyrazinecarboxamide
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DownloadsMolfile
FormulaC29H33N5O6
Net Charge0
Average Mass547.612
Monoisotopic Mass547.24308
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)c3cnccn3)c2O[C@H]1CN(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C29H33N5O6/c1-18-13-34(19(2)16-35)29(37)21-5-4-6-22(32-28(36)23-12-30-9-10-31-23)27(21)40-26(18)15-33(3)14-20-7-8-24-25(11-20)39-17-38-24/h4-12,18-19,26,35H,13-17H2,1-3H3,(H,32,36)/t18-,19-,26-/m0/s1
InChIKeyAIGHFSCVNSRQGM-DGUDUIIESA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(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]-2-pyrazinecarboxamide (CHEBI:124805) is a benzodioxoles (CHEBI:38298)
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