N-[(2R,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-(4-morpholinyl)propanamide (CHEBI:124341)

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CHEBI:124341 - N-[(2R,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-(4-morpholinyl)propanamide

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ChEBI ID	CHEBI:124341
ChEBI Name	N-[(2R,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-(4-morpholinyl)propanamide
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Formula	C31H42N4O7
Net Charge	0
Average Mass	582.698
Monoisotopic Mass	582.30535
SMILES	C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCN3CCOCC3)ccc2O[C@H]1CN(C)Cc1ccc2c(c1)OCO2
InChI	InChI=1S/C31H42N4O7/c1-21-16-35(22(2)19-36)31(38)25-15-24(32-30(37)8-9-34-10-12-39-13-11-34)5-7-26(25)42-29(21)18-33(3)17-23-4-6-27-28(14-23)41-20-40-27/h4-7,14-15,21-22,29,36H,8-13,16-20H2,1-3H3,(H,32,37)/t21-,22-,29+/m1/s1
InChIKey	XFYGDHSRHMGQGD-QLVXXPONSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2R,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-(4-morpholinyl)propanamide (CHEBI:124341) has functional parent β-amino acid (CHEBI:33706)
	N-[(2R,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-(4-morpholinyl)propanamide (CHEBI:124341) is a organonitrogen compound (CHEBI:35352)
	N-[(2R,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-(4-morpholinyl)propanamide (CHEBI:124341) is a organooxygen compound (CHEBI:36963)

Manual Xrefs	Databases
LSM-35783	LINCS