CHEBI:106208 - (2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(2-methylphenyl)-2-[[methyl(5-pyrimidinylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

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ChEBI Name (2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(2-methylphenyl)-2-[[methyl(5-pyrimidinylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
ChEBI ID CHEBI:106208
Stars This entity has been manually annotated by a third party.
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Formula C27H33N5O3
Net Charge 0
Average Mass 475.584
Monoisotopic Mass 475.25834
InChI InChI=1S/C27H33N5O3/c1-18-7-5-6-8-23(18)22-9-24-26(30-12-22)35-25(15-31(4)14-21-10-28-17-29-11-21)19(2)13-32(27(24)34)20(3)16-33/h5-12,17,19-20,25,33H,13-16H2,1-4H3/t19-,20+,25-/m1/s1
InChIKey XPLVEXAVWRQRFN-OHUGHZGNSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CC=CC=C3C)O[C@@H]1CN(C)CC4=CN=CN=C4)[C@@H](C)CO
ChEBI Ontology
Outgoing (2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(2-methylphenyl)-2-[[methyl(5-pyrimidinylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CHEBI:106208) is a phenylpyridine (CHEBI:38193)
Manual Xref Database
LSM-17569 LINCS
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