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CHEBI:127916 - 1-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea

ChEBI IDCHEBI:127916
ChEBI Name1-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea
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DownloadsMolfile
FormulaC34H36Cl2N4O4
Net Charge0
Average Mass635.592
Monoisotopic Mass634.21136
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)Nc3cccc4ccccc34)c2O[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C34H36Cl2N4O4/c1-21-17-40(22(2)20-41)33(42)26-11-7-13-30(38-34(43)37-29-12-6-9-24-8-4-5-10-25(24)29)32(26)44-31(21)19-39(3)18-23-14-15-27(35)28(36)16-23/h4-16,21-22,31,41H,17-20H2,1-3H3,(H2,37,38,43)/t21-,22-,31-/m1/s1
InChIKeyWWIBJYPAJPFNSR-KFCPHXPSSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea (CHEBI:127916) is a naphthalenes (CHEBI:25477)
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