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CHEBI:96644 - N-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide

ChEBI IDCHEBI:96644
ChEBI NameN-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide
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DownloadsMolfile
FormulaC27H35N3O6S
Net Charge0
Average Mass529.659
Monoisotopic Mass529.22466
SMILESCCCC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)S(=O)(=O)c1cccc(OC)c1)O2
InChIInChI=1S/C27H35N3O6S/c1-6-7-8-10-21-13-24-26(28-15-21)36-25(19(2)16-30(27(24)32)20(3)18-31)17-29(4)37(33,34)23-12-9-11-22(14-23)35-5/h9,11-15,19-20,25,31H,6-7,16-18H2,1-5H3/t19-,20+,25+/m0/s1
InChIKeyLMGISOPGJGQDCH-WZOHSFFVSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide (CHEBI:96644) is a sulfonamide (CHEBI:35358)
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