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CHEBI:130757 - (2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

ChEBI IDCHEBI:130757
ChEBI Name(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
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DownloadsMolfile
FormulaC28H36N4O5
Net Charge0
Average Mass508.619
Monoisotopic Mass508.26857
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc3c(c2)OCO3)Oc2ncc(C#CCN(C)C)cc2C1=O
InChIInChI=1S/C28H36N4O5/c1-19-14-32(20(2)17-33)28(34)23-11-21(7-6-10-30(3)4)13-29-27(23)37-26(19)16-31(5)15-22-8-9-24-25(12-22)36-18-35-24/h8-9,11-13,19-20,26,33H,10,14-18H2,1-5H3/t19-,20+,26+/m0/s1
InChIKeyBVQTVABWCISGQV-OUDXUNEISA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:130757) is a benzodioxoles (CHEBI:38298)
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