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CHEBI:110142 - N-[[(2S,3S)-8-(3-cyclopentylprop-1-ynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide

ChEBI IDCHEBI:110142
ChEBI NameN-[[(2S,3S)-8-(3-cyclopentylprop-1-ynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide
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DownloadsMolfile
FormulaC27H35N3O5S2
Net Charge0
Average Mass545.727
Monoisotopic Mass545.20181
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2cccs2)Oc2ncc(C#CCC3CCCC3)cc2C1=O
InChIInChI=1S/C27H35N3O5S2/c1-19-16-30(20(2)18-31)27(32)23-14-22(11-6-10-21-8-4-5-9-21)15-28-26(23)35-24(19)17-29(3)37(33,34)25-12-7-13-36-25/h7,12-15,19-21,24,31H,4-5,8-10,16-18H2,1-3H3/t19-,20+,24+/m0/s1
InChIKeyVAEQCBKICRQYMW-DCLXLUIPSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(2S,3S)-8-(3-cyclopentylprop-1-ynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide (CHEBI:110142) is a aromatic ether (CHEBI:35618)
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