N-[(2R,3S)-2-[[benzenesulfonyl(methyl)amino]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:127479)

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CHEBI:127479 - N-[(2R,3S)-2-[[benzenesulfonyl(methyl)amino]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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ChEBI ID	CHEBI:127479
ChEBI Name	N-[(2R,3S)-2-[[benzenesulfonyl(methyl)amino]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	C29H40N4O7S
Net Charge	0
Average Mass	588.727
Monoisotopic Mass	588.26177
SMILES	C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCN3CCOCC3)ccc2O[C@H]1CN(C)S(=O)(=O)c1ccccc1
InChI	InChI=1S/C29H40N4O7S/c1-21-18-33(22(2)20-34)29(36)25-17-23(30-28(35)11-12-32-13-15-39-16-14-32)9-10-26(25)40-27(21)19-31(3)41(37,38)24-7-5-4-6-8-24/h4-10,17,21-22,27,34H,11-16,18-20H2,1-3H3,(H,30,35)/t21-,22-,27-/m0/s1
InChIKey	TVSKJTJGUYONLO-BERHBOFZSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2R,3S)-2-[[benzenesulfonyl(methyl)amino]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:127479) has functional parent β-amino acid (CHEBI:33706)
	N-[(2R,3S)-2-[[benzenesulfonyl(methyl)amino]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:127479) is a organonitrogen compound (CHEBI:35352)
	N-[(2R,3S)-2-[[benzenesulfonyl(methyl)amino]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:127479) is a organooxygen compound (CHEBI:36963)

Manual Xrefs	Databases
LSM-39037	LINCS