N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:124671)

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CHEBI:124671 - N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide

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ChEBI ID	CHEBI:124671
ChEBI Name	N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
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Formula	C23H36N4O5
Net Charge	0
Average Mass	448.564
Monoisotopic Mass	448.26857
SMILES	CNC[C@H]1Oc2ccc(NC(=O)CCN3CCOCC3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C
InChI	InChI=1S/C23H36N4O5/c1-16-14-27(17(2)15-28)23(30)19-12-18(4-5-20(19)32-21(16)13-24-3)25-22(29)6-7-26-8-10-31-11-9-26/h4-5,12,16-17,21,24,28H,6-11,13-15H2,1-3H3,(H,25,29)/t16-,17-,21+/m0/s1
InChIKey	SRNCQLLCPQDCIA-XGHQBKJUSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:124671) has functional parent β-amino acid (CHEBI:33706)
	N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:124671) is a organonitrogen compound (CHEBI:35352)
	N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:124671) is a organooxygen compound (CHEBI:36963)

Manual Xrefs	Databases
LSM-36113	LINCS