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(2R)-2-(Tert-butoxycarbonylmethoxymethylamino)-3-phenylpropionoic acid 3-[(2R)-2-(tert-butoxycarbonylmethoxymethylamino)-3-phenylpropionyloxy]propyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(2R)-2-(Tert-butoxycarbonylmethoxymethylamino)-3-phenylpropionoic acid 3-[(2R)-2-(tert-butoxycarbonylmethoxymethylamino)-3-phenylpropionyloxy]propyl ester
SpectraBase Compound ID DGVcDF5oqKC
InChI InChI=1S/C35H50N2O10/c1-34(2,3)46-32(40)36(24-42-7)28(22-26-16-11-9-12-17-26)30(38)44-20-15-21-45-31(39)29(23-27-18-13-10-14-19-27)37(25-43-8)33(41)47-35(4,5)6/h9-14,16-19,28-29H,15,20-25H2,1-8H3/t28-,29-/m1/s1
InChIKey GCQCXXMSKUBNRM-FQLXRVMXSA-N
Mol Weight 658.8 g/mol
Molecular Formula C35H50N2O10
Exact Mass 658.346546 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KZ7od2phhBk
Name (2R)-2-(Tert-butoxycarbonylmethoxymethylamino)-3-phenylpropionoic acid 3-[(2R)-2-(tert-butoxycarbonylmethoxymethylamino)-3-phenylpropionyloxy]propyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 658.346545808 u
Formula C35H50N2O10
InChI InChI=1S/C35H50N2O10/c1-34(2,3)46-32(40)36(24-42-7)28(22-26-16-11-9-12-17-26)30(38)44-20-15-21-45-31(39)29(23-27-18-13-10-14-19-27)37(25-43-8)33(41)47-35(4,5)6/h9-14,16-19,28-29H,15,20-25H2,1-8H3/t28-,29-/m1/s1
InChIKey GCQCXXMSKUBNRM-FQLXRVMXSA-N
Molecular Weight 658.789 g/mol
SMILES C(N([C@@](C(=O)OCCCOC([C@](N(C(OC(C)(C)C)=O)COC)(CC1=CC=CC=C1)[H])=O)(CC=1C=CC=CC1)[H])COC)(OC(C)(C)C)=O