N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:126732)

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CHEBI:126732 - N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide

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ChEBI ID	CHEBI:126732
ChEBI Name	N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
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Formula	C27H40N6O7S
Net Charge	0
Average Mass	592.719
Monoisotopic Mass	592.26792
SMILES	C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCN3CCOCC3)ccc2O[C@H]1CN(C)S(=O)(=O)c1cn(C)cn1
InChI	InChI=1S/C27H40N6O7S/c1-19-14-33(20(2)17-34)27(36)22-13-21(29-25(35)7-8-32-9-11-39-12-10-32)5-6-23(22)40-24(19)15-31(4)41(37,38)26-16-30(3)18-28-26/h5-6,13,16,18-20,24,34H,7-12,14-15,17H2,1-4H3,(H,29,35)/t19-,20-,24-/m0/s1
InChIKey	HSFMJJCZPAZGBY-SKPFHBQLSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:126732) has functional parent β-amino acid (CHEBI:33706)
	N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:126732) is a organonitrogen compound (CHEBI:35352)
	N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide (CHEBI:126732) is a organooxygen compound (CHEBI:36963)

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