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(S)-N-methoxycarbonyl-N-acetoxymethyl-4-(dibenzylamino)homoalanine methyl ester
SpectraBase Compound ID HdThHebQ4qr
InChI InChI=1S/C24H30N2O6/c1-19(27)32-18-26(24(29)31-3)22(23(28)30-2)14-15-25(16-20-10-6-4-7-11-20)17-21-12-8-5-9-13-21/h4-13,22H,14-18H2,1-3H3/t22-/m0/s1
InChIKey IDJNNWJMQUDGFJ-QFIPXVFZSA-N
Mol Weight 442.51 g/mol
Molecular Formula C24H30N2O6
Exact Mass 442.210387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8BNVB9X6ALm
Name (S)-N-methoxycarbonyl-N-acetoxymethyl-4-(dibenzylamino)homoalanine methyl ester
Appearance Slightly yellow liquid
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Formula C24H30N2O6
InChI InChI=1S/C24H30N2O6/c1-19(27)32-18-26(24(29)31-3)22(23(28)30-2)14-15-25(16-20-10-6-4-7-11-20)17-21-12-8-5-9-13-21/h4-13,22H,14-18H2,1-3H3/t22-/m0/s1
InChIKey IDJNNWJMQUDGFJ-QFIPXVFZSA-N
Ionization Type EI
Molecular Weight 442.512 g/mol
Optical Rotation [a]D = -52.02 (c = 0.33, CHCl3)
Reported Formula C24H30N2O6
SMILES C(N(C(OC)=O)[C@](C(=O)OC)(CCN(Cc1ccccc1)Cc1ccccc1)[H])OC(=O)C
SPLASH splash10-01ox-8090000000-485800dd57394337aecf
Source of Spectrum WO2014125145A1
Wiley ID 1850064