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CHEBI:95803 - 1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea

ChEBI IDCHEBI:95803
ChEBI Name1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea
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DownloadsMolfile
FormulaC30H33N5O5
Net Charge0
Average Mass543.624
Monoisotopic Mass543.24817
SMILESCOc1cccc(NC(=O)N(C)C[C@@H]2Oc3ncc(C#Cc4ccncc4)cc3C(=O)N([C@@H](C)CO)C[C@H]2C)c1
InChIInChI=1S/C30H33N5O5/c1-20-17-35(21(2)19-36)29(37)26-14-23(9-8-22-10-12-31-13-11-22)16-32-28(26)40-27(20)18-34(3)30(38)33-24-6-5-7-25(15-24)39-4/h5-7,10-16,20-21,27,36H,17-19H2,1-4H3,(H,33,38)/t20-,21+,27+/m1/s1
InChIKeyIVQXIBZAZBUJJC-BUEREQSYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(3-methoxyphenyl)-1-methylurea (CHEBI:95803) is a ureas (CHEBI:47857)
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