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CHEBI:106295 - 1-[[(2R,3S)-8-[2-(1-hydroxycyclopentyl)ethynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea

ChEBI IDCHEBI:106295
ChEBI Name1-[[(2R,3S)-8-[2-(1-hydroxycyclopentyl)ethynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea
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DownloadsMolfile
FormulaC26H38N4O5
Net Charge0
Average Mass486.613
Monoisotopic Mass486.28422
SMILESCCCNC(=O)N(C)C[C@@H]1Oc2ncc(C#CC3(O)CCCC3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C
InChIInChI=1S/C26H38N4O5/c1-5-12-27-25(33)29(4)16-22-18(2)15-30(19(3)17-31)24(32)21-13-20(14-28-23(21)35-22)8-11-26(34)9-6-7-10-26/h13-14,18-19,22,31,34H,5-7,9-10,12,15-17H2,1-4H3,(H,27,33)/t18-,19+,22-/m0/s1
InChIKeyLOALBDSDXWHRAT-JQVVWYNYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(2R,3S)-8-[2-(1-hydroxycyclopentyl)ethynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea (CHEBI:106295) is a aromatic ether (CHEBI:35618)
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