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CHEBI:124416 - N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide

ChEBI IDCHEBI:124416
ChEBI NameN-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-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
FormulaC29H40Cl2N4O4
Net Charge0
Average Mass579.569
Monoisotopic Mass578.24266
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(NC(=O)CCCN(C)C)cc2C1=O
InChIInChI=1S/C29H40Cl2N4O4/c1-19-15-35(20(2)18-36)29(38)23-14-22(32-28(37)7-6-12-33(3)4)9-11-26(23)39-27(19)17-34(5)16-21-8-10-24(30)25(31)13-21/h8-11,13-14,19-20,27,36H,6-7,12,15-18H2,1-5H3,(H,32,37)/t19-,20+,27-/m0/s1
InChIKeyMUXVZPGXVBCMLC-VKIDHGPPSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide (CHEBI:124416) is a dichlorobenzene (CHEBI:23697)
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