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CHEBI:125836 - 1-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea

ChEBI IDCHEBI:125836
ChEBI Name1-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea
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DownloadsMolfile
FormulaC29H40N4O6
Net Charge0
Average Mass540.661
Monoisotopic Mass540.29478
SMILESCC(C)NC(=O)Nc1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc1ccc3c(c1)OCO3)O2
InChIInChI=1S/C29H40N4O6/c1-18(2)30-29(36)31-23-7-9-24-22(11-23)12-28(35)33(20(4)16-34)13-19(3)27(39-24)15-32(5)14-21-6-8-25-26(10-21)38-17-37-25/h6-11,18-20,27,34H,12-17H2,1-5H3,(H2,30,31,36)/t19-,20+,27-/m0/s1
InChIKeyLBSHWJURJCXAHO-VKIDHGPPSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-propan-2-ylurea (CHEBI:125836) is a benzodioxoles (CHEBI:38298)
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