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(2S)-2-(tert-Butoxycarbonylmethoxymethylamino)-3-phenylpropionoic acid 4-[(2S)-2-(tert-butoxycarbonylmethoxymethylamino)-3-phenylpropionyloxy]butyl ester
SpectraBase Compound ID AQrallB250G
InChI InChI=1S/C36H52N2O10/c1-35(2,3)47-33(41)37(25-43-7)29(23-27-17-11-9-12-18-27)31(39)45-21-15-16-22-46-32(40)30(24-28-19-13-10-14-20-28)38(26-44-8)34(42)48-36(4,5)6/h9-14,17-20,29-30H,15-16,21-26H2,1-8H3/t29-,30-/m0/s1
InChIKey CRMAYMMZBWFKCW-KYJUHHDHSA-N
Mol Weight 672.8 g/mol
Molecular Formula C36H52N2O10
Exact Mass 672.362196 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID QhDoEfHqC
Name (2S)-2-(tert-Butoxycarbonylmethoxymethylamino)-3-phenylpropionoic acid 4-[(2S)-2-(tert-butoxycarbonylmethoxymethylamino)-3-phenylpropionyloxy]butyl ester
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Formula C36H52N2O10
InChI InChI=1S/C36H52N2O10/c1-35(2,3)47-33(41)37(25-43-7)29(23-27-17-11-9-12-18-27)31(39)45-21-15-16-22-46-32(40)30(24-28-19-13-10-14-20-28)38(26-44-8)34(42)48-36(4,5)6/h9-14,17-20,29-30H,15-16,21-26H2,1-8H3/t29-,30-/m0/s1
InChIKey CRMAYMMZBWFKCW-KYJUHHDHSA-N
Molecular Weight 672.816 g/mol
SMILES C(N([C@](C(=O)OCCCCOC([C@@](N(C(OC(C)(C)C)=O)COC)(Cc1ccccc1)[H])=O)(Cc1ccccc1)[H])COC)(OC(C)(C)C)=O
SPLASH splash10-0159-0609402000-da8841347e6a097b8e84
Source of Spectrum F-59-970-7
Wiley ID 1676990