N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-methoxybenzenesulfonamide (CHEBI:129028)

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CHEBI:129028 - N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-methoxybenzenesulfonamide

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ChEBI ID	CHEBI:129028
ChEBI Name	N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-methoxybenzenesulfonamide
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Formula	C23H31N3O6S
Net Charge	0
Average Mass	477.583
Monoisotopic Mass	477.19336
SMILES	CNC[C@@H]1Oc2c(NS(=O)(=O)c3ccc(OC)cc3)cccc2C(=O)N([C@H](C)CO)C[C@@H]1C
InChI	InChI=1S/C23H31N3O6S/c1-15-13-26(16(2)14-27)23(28)19-6-5-7-20(22(19)32-21(15)12-24-3)25-33(29,30)18-10-8-17(31-4)9-11-18/h5-11,15-16,21,24-25,27H,12-14H2,1-4H3/t15-,16+,21-/m0/s1
InChIKey	QOQOLXTVYWSIIG-MRUHUIDDSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-methoxybenzenesulfonamide (CHEBI:129028) is a sulfonamide (CHEBI:35358)

Manual Xrefs	Databases
LSM-40580	LINCS