N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:131003)

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CHEBI:131003 - N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide

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ChEBI ID	CHEBI:131003
ChEBI Name	N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
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Formula	C29H41N5O5
Net Charge	0
Average Mass	539.677
Monoisotopic Mass	539.31077
SMILES	C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCN3CCOCC3)ccc2O[C@@H]1CN(C)Cc1ccncc1
InChI	InChI=1S/C29H41N5O5/c1-21-17-34(22(2)20-35)29(37)25-16-24(31-28(36)8-11-33-12-14-38-15-13-33)4-5-26(25)39-27(21)19-32(3)18-23-6-9-30-10-7-23/h4-7,9-10,16,21-22,27,35H,8,11-15,17-20H2,1-3H3,(H,31,36)/t21-,22-,27-/m1/s1
InChIKey	VXKDMLCNRLNBMM-VHFRWLAGSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:131003) has functional parent β-amino acid (CHEBI:33706)
	N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:131003) is a organonitrogen compound (CHEBI:35352)
	N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:131003) is a organooxygen compound (CHEBI:36963)

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