N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:111772)

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CHEBI:111772 - N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide

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ChEBI ID	CHEBI:111772
ChEBI Name	N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
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Formula	C31H44N4O6
Net Charge	0
Average Mass	568.715
Monoisotopic Mass	568.32609
SMILES	COc1ccc(CN(C)C[C@@H]2Oc3ccc(NC(=O)CCN4CCOCC4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1
InChI	InChI=1S/C31H44N4O6/c1-22-18-35(23(2)21-36)31(38)27-17-25(32-30(37)11-12-34-13-15-40-16-14-34)7-10-28(27)41-29(22)20-33(3)19-24-5-8-26(39-4)9-6-24/h5-10,17,22-23,29,36H,11-16,18-21H2,1-4H3,(H,32,37)/t22-,23-,29-/m0/s1
InChIKey	WZMFZVAQVUXYGZ-BOSRLCDASA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:111772) has functional parent β-amino acid (CHEBI:33706)
	N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:111772) is a organonitrogen compound (CHEBI:35352)
	N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:111772) is a organooxygen compound (CHEBI:36963)

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