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CHEBI:94933 - N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide

ChEBI IDCHEBI:94933
ChEBI NameN-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide
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DownloadsMolfile
FormulaC29H37Cl2N3O5
Net Charge0
Average Mass578.537
Monoisotopic Mass577.21103
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)C3CCOCC3)c2O[C@H]1CN(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C29H37Cl2N3O5/c1-18-14-34(19(2)17-35)29(37)22-5-4-6-25(32-28(36)21-9-11-38-12-10-21)27(22)39-26(18)16-33(3)15-20-7-8-23(30)24(31)13-20/h4-8,13,18-19,21,26,35H,9-12,14-17H2,1-3H3,(H,32,36)/t18-,19+,26+/m1/s1
InChIKeyLVXBRBUTRZQNTO-MVYHEMRASA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-oxanecarboxamide (CHEBI:94933) is a dichlorobenzene (CHEBI:23697)
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