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CHEBI:124279 - N-[(2R,3S)-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-pyridinecarboxamide

ChEBI IDCHEBI:124279
ChEBI NameN-[(2R,3S)-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-pyridinecarboxamide
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DownloadsMolfile
FormulaC30H34N4O6
Net Charge0
Average Mass546.624
Monoisotopic Mass546.24783
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)c3ccncc3)cc2C1=O
InChIInChI=1S/C30H34N4O6/c1-19-14-34(20(2)17-35)30(37)24-13-23(32-29(36)22-8-10-31-11-9-22)5-7-25(24)40-28(19)16-33(3)15-21-4-6-26-27(12-21)39-18-38-26/h4-13,19-20,28,35H,14-18H2,1-3H3,(H,32,36)/t19-,20+,28-/m0/s1
InChIKeyVPWIZKHQYUSQSD-BCDQWZCSSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3S)-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-pyridinecarboxamide (CHEBI:124279) is a benzodioxoles (CHEBI:38298)
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