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CHEBI:123743 - 1-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(1-naphthalenyl)urea

ChEBI IDCHEBI:123743
ChEBI Name1-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(1-naphthalenyl)urea
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DownloadsMolfile
FormulaC35H38N4O6
Net Charge0
Average Mass610.711
Monoisotopic Mass610.27913
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3cccc4ccccc34)ccc2O[C@@H]1CN(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C35H38N4O6/c1-22-17-39(23(2)20-40)34(41)28-16-26(36-35(42)37-29-10-6-8-25-7-4-5-9-27(25)29)12-14-30(28)45-33(22)19-38(3)18-24-11-13-31-32(15-24)44-21-43-31/h4-16,22-23,33,40H,17-21H2,1-3H3,(H2,36,37,42)/t22-,23-,33-/m1/s1
InChIKeyMDVGURPVGABTFV-JJWUTGECSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(1-naphthalenyl)urea (CHEBI:123743) is a naphthalenes (CHEBI:25477)
Manual XrefsDatabases
LSM-35185LINCS