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CHEBI:127447 - (2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one

ChEBI IDCHEBI:127447
ChEBI Name(2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one
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FormulaC31H39N3O3
Net Charge0
Average Mass501.671
Monoisotopic Mass501.29914
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2c(cccc2N(C)C)C1=O
InChIInChI=1S/C31H39N3O3/c1-22-18-34(23(2)21-35)31(36)27-12-9-13-28(32(3)4)30(27)37-29(22)20-33(5)19-24-14-16-26(17-15-24)25-10-7-6-8-11-25/h6-17,22-23,29,35H,18-21H2,1-5H3/t22-,23+,29+/m0/s1
InChIKeyQJCPDZQSNHMPQE-QFWOEDSFSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one (CHEBI:127447) is a biphenyls (CHEBI:22888)
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LSM-39005LINCS