N-[(2R,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:111743)

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CHEBI:111743 - N-[(2R,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide

Default Structure

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ChEBI ID	CHEBI:111743
ChEBI Name	N-[(2R,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-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	C29H39FN4O7S
Net Charge	0
Average Mass	606.717
Monoisotopic Mass	606.25235
SMILES	C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCN3CCOCC3)ccc2O[C@H]1CN(C)S(=O)(=O)c1ccc(F)cc1
InChI	InChI=1S/C29H39FN4O7S/c1-20-17-34(21(2)19-35)29(37)25-16-23(31-28(36)10-11-33-12-14-40-15-13-33)6-9-26(25)41-27(20)18-32(3)42(38,39)24-7-4-22(30)5-8-24/h4-9,16,20-21,27,35H,10-15,17-19H2,1-3H3,(H,31,36)/t20-,21+,27+/m1/s1
InChIKey	NKFYFMCKJSWXRC-BUEREQSYSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2R,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:111743) has functional parent β-amino acid (CHEBI:33706)
	N-[(2R,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:111743) is a organonitrogen compound (CHEBI:35352)
	N-[(2R,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:111743) is a organooxygen compound (CHEBI:36963)

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