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CHEBI:128565 - 1-[(2S,3R)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea

ChEBI IDCHEBI:128565
ChEBI Name1-[(2S,3R)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
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DownloadsMolfile
FormulaC21H34N4O4
Net Charge0
Average Mass406.527
Monoisotopic Mass406.25801
SMILESCC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)C)O2
InChIInChI=1S/C21H34N4O4/c1-13(2)22-21(28)23-16-7-8-18-17(9-16)20(27)25(15(4)12-26)10-14(3)19(29-18)11-24(5)6/h7-9,13-15,19,26H,10-12H2,1-6H3,(H2,22,23,28)/t14-,15-,19-/m1/s1
InChIKeyKULYSGMCKHFPFK-SPYBWZPUSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2S,3R)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea (CHEBI:128565) is a aromatic ether (CHEBI:35618)
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