CHEBI:106127 - 1-[[(2S,3S)-8-(2-fluorophenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea

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ChEBI Name 1-[[(2S,3S)-8-(2-fluorophenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea
ChEBI ID CHEBI:106127
Stars This entity has been manually annotated by a third party.
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Formula C25H33FN4O4
Net Charge 0
Average Mass 472.553
Monoisotopic Mass 472.24858
InChI InChI=1S/C25H33FN4O4/c1-5-10-27-25(33)29(4)14-22-16(2)13-30(17(3)15-31)24(32)20-11-18(12-28-23(20)34-22)19-8-6-7-9-21(19)26/h6-9,11-12,16-17,22,31H,5,10,13-15H2,1-4H3,(H,27,33)/t16-,17-,22+/m0/s1
InChIKey OSFPASGWEYOZJM-PNLZDCPESA-N
SMILES CCCNC(=O)N(C)C[C@@H]1[C@H](CN(C(=O)C2=C(O1)N=CC(=C2)C3=CC=CC=C3F)[C@@H](C)CO)C
ChEBI Ontology
Outgoing 1-[[(2S,3S)-8-(2-fluorophenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea (CHEBI:106127) is a phenylpyridine (CHEBI:38193)
Manual Xref Database
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