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CHEBI:127064 - N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-(dimethylamino)butanamide

ChEBI IDCHEBI:127064
ChEBI NameN-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-(dimethylamino)butanamide
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DownloadsMolfile
FormulaC31H44N4O6
Net Charge0
Average Mass568.715
Monoisotopic Mass568.32609
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc3c(c2)OCO3)Oc2ccc(NC(=O)CCCN(C)C)cc2CC1=O
InChIInChI=1S/C31H44N4O6/c1-21-16-35(22(2)19-36)31(38)15-24-14-25(32-30(37)7-6-12-33(3)4)9-11-26(24)41-29(21)18-34(5)17-23-8-10-27-28(13-23)40-20-39-27/h8-11,13-14,21-22,29,36H,6-7,12,15-20H2,1-5H3,(H,32,37)/t21-,22+,29+/m0/s1
InChIKeyDVNXRQMGQHVLGC-DKGMKSHISA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-(dimethylamino)butanamide (CHEBI:127064) is a benzodioxoles (CHEBI:38298)
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