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(2S,1'RS)-2-[N-(1'-N-Methylcarbamoy)-(o-diphenylphosphinoyl)benzyl]amino-3-methylbutanoic acid methyl ester
SpectraBase Compound ID L5draItIzDe
InChI InChI=1S/C27H31N2O4P/c1-20(2)25(26(30)33-4)29(27(31)28-3)19-21-13-11-12-18-24(21)34(32,22-14-7-5-8-15-22)23-16-9-6-10-17-23/h5-18,20,25H,19H2,1-4H3,(H,28,31)/t25-/m0/s1
InChIKey KUQLEBCQMNAQLY-VWLOTQADSA-N
Mol Weight 478.53 g/mol
Molecular Formula C27H31N2O4P
Exact Mass 478.202144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F5AV352DROU
Name (2S,1'RS)-2-[N-(1'-N-Methylcarbamoy)-(o-diphenylphosphinoyl)benzyl]amino-3-methylbutanoic acid methyl ester
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Formula C27H31N2O4P
InChI InChI=1S/C27H31N2O4P/c1-20(2)25(26(30)33-4)29(27(31)28-3)19-21-13-11-12-18-24(21)34(32,22-14-7-5-8-15-22)23-16-9-6-10-17-23/h5-18,20,25H,19H2,1-4H3,(H,28,31)/t25-/m0/s1
InChIKey KUQLEBCQMNAQLY-VWLOTQADSA-N
Molecular Weight 478.529 g/mol
SMILES N(C(N(Cc1c(P(=O)(c2ccccc2)c2ccccc2)cccc1)[C@](C(=O)OC)(C(C)C)[H])=O)C
SPLASH splash10-00dl-0067900000-981d5315bc6e5248f30c
Source of Spectrum KD-13-1934-8
Wiley ID 1635446