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-cyclohexylurea (CHEBI:113826)

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CHEBI:113826 - 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-cyclohexylurea

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ChEBI ID	CHEBI:113826
ChEBI Name	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-cyclohexylurea
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Formula	C31H42N4O6
Net Charge	0
Average Mass	566.699
Monoisotopic Mass	566.31044
SMILES	C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2O[C@@H]1CN(C)Cc1ccc2c(c1)OCO2
InChI	InChI=1S/C31H42N4O6/c1-20-15-35(21(2)18-36)30(37)25-14-24(33-31(38)32-23-7-5-4-6-8-23)10-12-26(25)41-29(20)17-34(3)16-22-9-11-27-28(13-22)40-19-39-27/h9-14,20-21,23,29,36H,4-8,15-19H2,1-3H3,(H2,32,33,38)/t20-,21-,29-/m1/s1
InChIKey	WHPNVWBFVYVCKA-GVNDJSPXSA-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-cyclohexylurea (CHEBI:113826) is a benzodioxoles (CHEBI:38298)

Manual Xrefs	Databases
LSM-25258	LINCS