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(2S)-2-(Tert-butoxycarbonylmethoxymethylamino)-3-phenylpropionoic acid 2-{(2S)-2-[2-(tert-butoxycarbonylmethoxymethylamino)-3-phenylpropionyloxy]ethoxy}ethyl ester

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

(2S)-2-(Tert-butoxycarbonylmethoxymethylamino)-3-phenylpropionoic acid 2-{(2S)-2-[2-(tert-butoxycarbonylmethoxymethylamino)-3-phenylpropionyloxy]ethoxy}ethyl ester
SpectraBase Compound ID GbGDpDRFvDJ
InChI InChI=1S/C36H52N2O11/c1-35(2,3)48-33(41)37(25-43-7)29(23-27-15-11-9-12-16-27)31(39)46-21-19-45-20-22-47-32(40)30(24-28-17-13-10-14-18-28)38(26-44-8)34(42)49-36(4,5)6/h9-18,29-30H,19-26H2,1-8H3/t29-,30-/m0/s1
InChIKey PWKUBSUKBQSBFV-KYJUHHDHSA-N
Mol Weight 688.8 g/mol
Molecular Formula C36H52N2O11
Exact Mass 688.35711 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HGCt7ch9XK1
Name (2S)-2-(tert-Butoxycarbonylmethoxymethylamino)-3-phenylpropionoic acid 2-{(2S)-2-[2-(tert-butoxycarbonylmethoxymethylamino)-3-phenylpropionyloxy]ethoxy}ethyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H52N2O11
InChI InChI=1S/C36H52N2O11/c1-35(2,3)48-33(41)37(25-43-7)29(23-27-15-11-9-12-16-27)31(39)46-21-19-45-20-22-47-32(40)30(24-28-17-13-10-14-18-28)38(26-44-8)34(42)49-36(4,5)6/h9-18,29-30H,19-26H2,1-8H3/t29-,30-/m0/s1
InChIKey PWKUBSUKBQSBFV-KYJUHHDHSA-N
Molecular Weight 688.815 g/mol
SMILES C(N([C@](C(=O)OCCOCCOC([C@@](N(C(OC(C)(C)C)=O)COC)(Cc1ccccc1)[H])=O)(Cc1ccccc1)[H])COC)(OC(C)(C)C)=O
SPLASH splash10-053r-6903101000-e2c68b3abb496eac387b
Source of Spectrum F-59-969-15
Synonyms (2S)-2-[methoxymethyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid 2-[2-[(2S)-2-[methoxymethyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropoxy]ethoxy]ethyl ester 2-[2-[(2S)-2-[methoxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoyl]oxyethoxy]ethyl (2S)-2-[methoxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoate 2-[2-[(2S)-2-[tert-butoxycarbonyl(methoxymethyl)amino]-3-phenyl-propanoyl]oxyethoxy]ethyl (2S)-2-[tert-butoxycarbonyl(methoxymethyl)amino]-3-phenyl-propanoate 2-[2-[(2S)-2-[methoxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenyl-propanoyl]oxyethoxy]ethyl (2S)-2-[methoxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenyl-propanoate
Wiley ID 1676992