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CHEBI:130448 - 4-(dimethylamino)-N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide

ChEBI IDCHEBI:130448
ChEBI Name4-(dimethylamino)-N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide
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FormulaC35H46N4O5
Net Charge0
Average Mass602.776
Monoisotopic Mass602.34682
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCCN(C)C)ccc2O[C@@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C35H46N4O5/c1-25-21-39(26(2)24-40)35(42)31-20-28(36-34(41)12-9-19-37(3)4)15-18-32(31)44-33(25)23-38(5)22-27-13-16-30(17-14-27)43-29-10-7-6-8-11-29/h6-8,10-11,13-18,20,25-26,33,40H,9,12,19,21-24H2,1-5H3,(H,36,41)/t25-,26-,33+/m0/s1
InChIKeyJBTWBXKZNZMQHX-RROHFTNDSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(dimethylamino)-N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide (CHEBI:130448) is a aromatic ether (CHEBI:35618)
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