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CHEBI:130564 - (2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-3-methyl-2-[[methyl(propyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

ChEBI IDCHEBI:130564
ChEBI Name(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-8-[2-(4-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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DownloadsMolfile
FormulaC27H35N3O4
Net Charge0
Average Mass465.594
Monoisotopic Mass465.26276
SMILESCCCN(C)C[C@H]1Oc2ncc(C#Cc3ccc(OC)cc3)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)24-14-22(15-28-26(24)34-25)8-7-21-9-11-23(33-5)12-10-21/h9-12,14-15,19-20,25,31H,6,13,16-18H2,1-5H3/t19-,20+,25-/m1/s1
InChIKeyUGNBKLFHVVRXOZ-OHUGHZGNSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-3-methyl-2-[[methyl(propyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:130564) is a methoxybenzenes (CHEBI:51683)
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