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CHEBI:113715 - 1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-phenylurea

ChEBI IDCHEBI:113715
ChEBI Name1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-phenylurea
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FormulaC30H36N4O4
Net Charge0
Average Mass516.642
Monoisotopic Mass516.27366
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O[C@H]1CN(C)Cc1ccccc1
InChIInChI=1S/C30H36N4O4/c1-21-17-34(22(2)20-35)29(36)26-16-25(32-30(37)31-24-12-8-5-9-13-24)14-15-27(26)38-28(21)19-33(3)18-23-10-6-4-7-11-23/h4-16,21-22,28,35H,17-20H2,1-3H3,(H2,31,32,37)/t21-,22-,28-/m0/s1
InChIKeyHYMZOYYGWSDRHJ-VPYPWEPUSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-phenylurea (CHEBI:113715) is a ureas (CHEBI:47857)
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