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CHEBI:126543 - N-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide

ChEBI IDCHEBI:126543
ChEBI NameN-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide
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DownloadsMolfile
FormulaC29H48N4O4
Net Charge0
Average Mass516.727
Monoisotopic Mass516.36756
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCCN(C)C)ccc2O[C@@H]1CN(C)CC1CCCCC1
InChIInChI=1S/C29H48N4O4/c1-21-17-33(22(2)20-34)29(36)25-16-24(30-28(35)12-9-15-31(3)4)13-14-26(25)37-27(21)19-32(5)18-23-10-7-6-8-11-23/h13-14,16,21-23,27,34H,6-12,15,17-20H2,1-5H3,(H,30,35)/t21-,22+,27-/m1/s1
InChIKeyINYWTFJFDLXYAH-UMTXDNHDSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide (CHEBI:126543) is a aromatic amide (CHEBI:62733)
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