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CHEBI:114118 - (2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-8-[2-(2-methoxyphenyl)ethynyl]-3-methyl-2-[[methyl(propyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

ChEBI IDCHEBI:114118
ChEBI Name(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-8-[2-(2-methoxyphenyl)ethynyl]-3-methyl-2-[[methyl(propyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
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FormulaC27H35N3O4
Net Charge0
Average Mass465.594
Monoisotopic Mass465.26276
SMILESCCCN(C)C[C@H]1Oc2ncc(C#Cc3ccccc3OC)cc2C(=O)N([C@@H](C)CO)C[C@H]1C
InChIInChI=1S/C27H35N3O4/c1-6-13-29(4)17-25-19(2)16-30(20(3)18-31)27(32)23-14-21(15-28-26(23)34-25)11-12-22-9-7-8-10-24(22)33-5/h7-10,14-15,19-20,25,31H,6,13,16-18H2,1-5H3/t19-,20+,25-/m1/s1
InChIKeyCXNSNJNJSOSVDN-OHUGHZGNSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-8-[2-(2-methoxyphenyl)ethynyl]-3-methyl-2-[[methyl(propyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:114118) is a methoxybenzenes (CHEBI:51683)
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