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CHEBI:124510 - N-[(2S,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-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide

ChEBI IDCHEBI:124510
ChEBI NameN-[(2S,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-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
Stars
DownloadsMolfile
FormulaC30H37N5O6
Net Charge0
Average Mass563.655
Monoisotopic Mass563.27438
SMILESCc1cc(C(=O)Nc2cccc3c2O[C@H](CN(C)Cc2ccc4c(c2)OCO4)[C@H](C)CN([C@@H](C)CO)C3=O)n(C)n1
InChIInChI=1S/C30H37N5O6/c1-18-13-35(20(3)16-36)30(38)22-7-6-8-23(31-29(37)24-11-19(2)32-34(24)5)28(22)41-27(18)15-33(4)14-21-9-10-25-26(12-21)40-17-39-25/h6-12,18,20,27,36H,13-17H2,1-5H3,(H,31,37)/t18-,20+,27-/m1/s1
InChIKeyJBQLQJBKRILBSN-ZNFWPTJWSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,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-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide (CHEBI:124510) is a benzodioxoles (CHEBI:38298)
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