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CHEBI:124399 - 1-(1,3-benzodioxol-5-yl)-3-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea

ChEBI IDCHEBI:124399
ChEBI Name1-(1,3-benzodioxol-5-yl)-3-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
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FormulaC32H44N4O6
Net Charge0
Average Mass580.726
Monoisotopic Mass580.32609
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccc4c(c3)OCO4)ccc2O[C@H]1CN(C)CC1CCCCC1
InChIInChI=1S/C32H44N4O6/c1-21-16-36(22(2)19-37)31(38)14-24-13-25(33-32(39)34-26-10-12-28-29(15-26)41-20-40-28)9-11-27(24)42-30(21)18-35(3)17-23-7-5-4-6-8-23/h9-13,15,21-23,30,37H,4-8,14,16-20H2,1-3H3,(H2,33,34,39)/t21-,22+,30+/m1/s1
InChIKeyRFZFPTSDEPYSRK-DGIFUFQNSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(1,3-benzodioxol-5-yl)-3-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea (CHEBI:124399) is a benzodioxoles (CHEBI:38298)
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