CHEBI:96165 - 1-[[(2S,3R)-8-(2-cyclopropylethynyl)-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-propan-2-ylurea

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ChEBI Name 1-[[(2S,3R)-8-(2-cyclopropylethynyl)-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-propan-2-ylurea
ChEBI ID CHEBI:96165
Stars This entity has been manually annotated by a third party.
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Formula C24H34N4O4
Net Charge 0
Average Mass 442.552
Monoisotopic Mass 442.25801
InChI InChI=1S/C24H34N4O4/c1-15(2)26-24(31)27(5)13-21-16(3)12-28(17(4)14-29)23(30)20-10-19(9-8-18-6-7-18)11-25-22(20)32-21/h10-11,15-18,21,29H,6-7,12-14H2,1-5H3,(H,26,31)/t16-,17+,21-/m1/s1
InChIKey MNKHAAOLWRLKCW-LLGFUMIMSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3CC3)O[C@@H]1CN(C)C(=O)NC(C)C)[C@@H](C)CO
ChEBI Ontology
Outgoing 1-[[(2S,3R)-8-(2-cyclopropylethynyl)-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-propan-2-ylurea (CHEBI:96165) is a aromatic ether (CHEBI:35618)
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