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CHEBI:124770 - 1-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea

ChEBI IDCHEBI:124770
ChEBI Name1-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
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DownloadsMolfile
FormulaC31H44N4O5
Net Charge0
Average Mass552.716
Monoisotopic Mass552.33117
SMILESCOc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)CC2CCCCC2)O3)cc1
InChIInChI=1S/C31H44N4O5/c1-21-17-35(22(2)20-36)30(37)27-16-25(33-31(38)32-24-10-13-26(39-4)14-11-24)12-15-28(27)40-29(21)19-34(3)18-23-8-6-5-7-9-23/h10-16,21-23,29,36H,5-9,17-20H2,1-4H3,(H2,32,33,38)/t21-,22+,29+/m1/s1
InChIKeyHDRLPDDVBLCGRV-BXOOBUKZSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea (CHEBI:124770) is a ureas (CHEBI:47857)
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