CHEBI:109972 - (2R,3R)-2-[[cyclopentylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2R,3R)-2-[[cyclopentylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
ChEBI ID CHEBI:109972
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C28H39N3O4
Net Charge 0
Average Mass 481.628
Monoisotopic Mass 481.29406
InChI InChI=1S/C28H39N3O4/c1-19-15-31(20(2)18-32)28(33)25-13-23(22-10-7-11-24(12-22)34-4)14-29-27(25)35-26(19)17-30(3)16-21-8-5-6-9-21/h7,10-14,19-21,26,32H,5-6,8-9,15-18H2,1-4H3/t19-,20+,26+/m1/s1
InChIKey IDUFABHFDSGNRC-GOHWNWGWSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CC(=CC=C3)OC)O[C@H]1CN(C)CC4CCCC4)[C@@H](C)CO
ChEBI Ontology
Outgoing (2R,3R)-2-[[cyclopentylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:109972) is a phenylpyridine (CHEBI:38193)
Manual Xref Database
LSM-21399 LINCS
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