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Methyl (Z)-4-[(3-tert-Butoxycarbonylamino)propanoyl]-1-methyl-2-oxo-8-phenyl-1,2,3,4,5,6-hexahydro-1,4-diazocine-6-carboxylate
SpectraBase Compound ID JuiYDLROhzq
InChI InChI=1S/C23H31N3O6/c1-23(2,3)32-22(30)24-12-11-19(27)26-14-17(21(29)31-5)13-18(25(4)20(28)15-26)16-9-7-6-8-10-16/h6-10,13,17H,11-12,14-15H2,1-5H3,(H,24,30)/b18-13-
InChIKey PMQSPVGMIFOZLG-AQTBWJFISA-N
Mol Weight 445.52 g/mol
Molecular Formula C23H31N3O6
Exact Mass 445.221286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FAgZRYeKYLh
Name Methyl (Z)-4-[(3-tert-Butoxycarbonylamino)propanoyl]-1-methyl-2-oxo-8-phenyl-1,2,3,4,5,6-hexahydro-1,4-diazocine-6-carboxylate
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Formula C23H31N3O6
InChI InChI=1S/C23H31N3O6/c1-23(2,3)32-22(30)24-12-11-19(27)26-14-17(21(29)31-5)13-18(25(4)20(28)15-26)16-9-7-6-8-10-16/h6-10,13,17H,11-12,14-15H2,1-5H3,(H,24,30)/b18-13-
InChIKey PMQSPVGMIFOZLG-AQTBWJFISA-N
Molecular Weight 445.516 g/mol
SMILES N(C(=O)OC(C)(C)C)CCC(=O)N1CC(N(\C(=C/C(C1)C(=O)OC)c1ccccc1)C)=O
SPLASH splash10-0lkl-5592000000-2219f389b58142f4b1fa
Source of Spectrum U1-2012-1814-12
Synonyms (5Z)-4-methyl-1-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]-3-oxo-5-phenyl-7,8-dihydro-2H-1,4-diazocine-7-carboxylic acid methyl ester Methyl (5Z)-4-methyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-3-oxo-5-phenyl-7,8-dihydro-2H-1,4-diazocine-7-carboxylate Methyl (5Z)-1-[3-(tert-butoxycarbonylamino)propanoyl]-4-methyl-3-oxo-5-phenyl-7,8-dihydro-2H-1,4-diazocine-7-carboxylate Methyl (5Z)-4-methyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-3-oxidanylidene-5-phenyl-7,8-dihydro-2H-1,4-diazocine-7-carboxylate
Wiley ID 1715325