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CHEBI:96003 - N-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylmethanesulfonamide

ChEBI IDCHEBI:96003
ChEBI NameN-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylmethanesulfonamide
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DownloadsMolfile
FormulaC20H29N3O6S
Net Charge0
Average Mass439.534
Monoisotopic Mass439.17771
SMILESCOCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)S(C)(=O)=O)O2
InChIInChI=1S/C20H29N3O6S/c1-14-11-23(15(2)13-24)20(25)17-9-16(7-6-8-28-4)10-21-19(17)29-18(14)12-22(3)30(5,26)27/h9-10,14-15,18,24H,8,11-13H2,1-5H3/t14-,15+,18-/m1/s1
InChIKeyZLBUSWVWPMDVDO-RVKKMQEKSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylmethanesulfonamide (CHEBI:96003) is a aromatic ether (CHEBI:35618)
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