CHEBI:114075 - (2S,3R)-5-[(2R)-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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2S,3R)-5-[(2R)-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 ID CHEBI:114075
Stars This entity has been manually annotated by a third party.
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Formula C27H35N3O4
Net Charge 0
Average Mass 465.586
Monoisotopic Mass 465.26276
InChI InChI=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
InChIKey CXNSNJNJSOSVDN-UMEGOILYSA-N
SMILES CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(O1)N=CC(=C2)C#CC3=CC=CC=C3OC)[C@H](C)CO)C
ChEBI Ontology
Outgoing (2S,3R)-5-[(2R)-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:114075) is a methoxybenzenes (CHEBI:51683)
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