N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:124690)

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CHEBI:124690 - N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide

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ChEBI ID	CHEBI:124690
ChEBI Name	N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
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Downloads	Molfile

Formula	C24H38N4O7S
Net Charge	0
Average Mass	526.656
Monoisotopic Mass	526.24612
SMILES	C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)CCN3CCOCC3)ccc2O[C@@H]1CN(C)S(C)(=O)=O
InChI	InChI=1S/C24H38N4O7S/c1-17-14-28(18(2)16-29)24(31)20-13-19(25-23(30)7-8-27-9-11-34-12-10-27)5-6-21(20)35-22(17)15-26(3)36(4,32)33/h5-6,13,17-18,22,29H,7-12,14-16H2,1-4H3,(H,25,30)/t17-,18-,22-/m1/s1
InChIKey	YCHVEUQITJYTKK-JBYIUTFZSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:124690) has functional parent β-amino acid (CHEBI:33706)
	N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:124690) is a organonitrogen compound (CHEBI:35352)
	N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:124690) is a organooxygen compound (CHEBI:36963)

Manual Xrefs	Databases
LSM-36132	LINCS