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CHEBI:119520 - (2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

ChEBI IDCHEBI:119520
ChEBI Name(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
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DownloadsMolfile
FormulaC27H33N3O6
Net Charge0
Average Mass495.576
Monoisotopic Mass495.23694
SMILESCOCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc1ccc3c(c1)OCO3)O2
InChIInChI=1S/C27H33N3O6/c1-18-13-30(19(2)16-31)27(32)22-10-20(6-5-9-33-4)12-28-26(22)36-25(18)15-29(3)14-21-7-8-23-24(11-21)35-17-34-23/h7-8,10-12,18-19,25,31H,9,13-17H2,1-4H3/t18-,19+,25-/m1/s1
InChIKeyKFAQLLCHSMBKLV-HHJKRLRDSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:119520) is a benzodioxoles (CHEBI:38298)
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