N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:124314)

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CHEBI:124314 - N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-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:124314
ChEBI Name	N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
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Formula	C31H43N5O7
Net Charge	0
Average Mass	597.713
Monoisotopic Mass	597.31625
SMILES	COc1ccc(NC(=O)N(C)C[C@@H]2Oc3ccc(NC(=O)CCN4CCOCC4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1
InChI	InChI=1S/C31H43N5O7/c1-21-18-36(22(2)20-37)30(39)26-17-24(32-29(38)11-12-35-13-15-42-16-14-35)7-10-27(26)43-28(21)19-34(3)31(40)33-23-5-8-25(41-4)9-6-23/h5-10,17,21-22,28,37H,11-16,18-20H2,1-4H3,(H,32,38)(H,33,40)/t21-,22+,28-/m0/s1
InChIKey	GZTCRZUPEZJWSX-TYPXCFOJSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:124314) has functional parent β-amino acid (CHEBI:33706)
	N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:124314) is a organonitrogen compound (CHEBI:35352)
	N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:124314) is a organooxygen compound (CHEBI:36963)

Manual Xrefs	Databases
LSM-35756	LINCS