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CHEBI:96363 - 2-cyclopropyl-N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide

ChEBI IDCHEBI:96363
ChEBI Name2-cyclopropyl-N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide
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DownloadsMolfile
FormulaC29H35N3O5
Net Charge0
Average Mass505.615
Monoisotopic Mass505.25767
SMILESCOc1ccc(C#Cc2cnc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)CC2CC2)O3)cc1
InChIInChI=1S/C29H35N3O5/c1-19-16-32(20(2)18-33)29(35)25-13-23(8-5-21-9-11-24(36-4)12-10-21)15-30-28(25)37-26(19)17-31(3)27(34)14-22-6-7-22/h9-13,15,19-20,22,26,33H,6-7,14,16-18H2,1-4H3/t19-,20-,26-/m1/s1
InChIKeyDPWYORMJDFEMPA-XMERXJNXSA-N
ChEBI Ontology
Outgoing Relation(s)
2-cyclopropyl-N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide (CHEBI:96363) is a methoxybenzenes (CHEBI:51683)
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