(2S,3S)-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one (CHEBI:113585)

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CHEBI:113585 - (2S,3S)-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one

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ChEBI ID	CHEBI:113585
ChEBI Name	(2S,3S)-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one
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Formula	C31H39N3O4
Net Charge	0
Average Mass	517.670
Monoisotopic Mass	517.29406
SMILES	C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(N(C)C)c2O[C@@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1
InChI	InChI=1S/C31H39N3O4/c1-22-18-34(23(2)21-35)31(36)27-12-9-13-28(32(3)4)30(27)38-29(22)20-33(5)19-24-14-16-26(17-15-24)37-25-10-7-6-8-11-25/h6-17,22-23,29,35H,18-21H2,1-5H3/t22-,23-,29+/m0/s1
InChIKey	KBWKSVZPOQKHGN-SBZVUBOMSA-N

ChEBI Ontology

Outgoing Relation(s)
	(2S,3S)-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one (CHEBI:113585) is a aromatic ether (CHEBI:35618)

Manual Xrefs	Databases
LSM-25017	LINCS