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CHEBI:114071 - 1-[[(2R,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea

ChEBI IDCHEBI:114071
ChEBI Name1-[[(2R,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
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DownloadsMolfile
FormulaC28H37N5O5
Net Charge0
Average Mass523.634
Monoisotopic Mass523.27947
SMILESCOc1ccc(NC(=O)N(C)C[C@@H]2Oc3ncc(C#CCN(C)C)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1
InChIInChI=1S/C28H37N5O5/c1-19-16-33(20(2)18-34)27(35)24-14-21(8-7-13-31(3)4)15-29-26(24)38-25(19)17-32(5)28(36)30-22-9-11-23(37-6)12-10-22/h9-12,14-15,19-20,25,34H,13,16-18H2,1-6H3,(H,30,36)/t19-,20-,25-/m0/s1
InChIKeyHTMGNWWTKIFEMM-RLSLOFABSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(2R,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea (CHEBI:114071) is a ureas (CHEBI:47857)
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