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o-Benzyl-N-tert-butoxycarbonyl-L-tyrosine

View entire compound with spectra: 1 NMR

o-Benzyl-N-tert-butoxycarbonyl-L-tyrosine
SpectraBase Compound ID J6w7Ed9AZcl
InChI InChI=1S/2C21H25NO5/c2*1-21(2,3)27-20(25)22-18(19(23)24)13-15-9-11-17(12-10-15)26-14-16-7-5-4-6-8-16/h2*4-12,18H,13-14H2,1-3H3,(H,22,25)(H,23,24)/t2*18-/m00/s1
InChIKey GKEDGYJCDYUGOQ-LNPUJZQQSA-N
Mol Weight 742.87 g/mol
Molecular Formula C42H50N2O10
Exact Mass 742.346546 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2XVzUYiSxEy
Name o-Benzyl-N-tert-butoxycarbonyl-L-tyrosine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 742.346545808 u
Formula C42H50N2O10
InChI InChI=1S/2C21H25NO5/c2*1-21(2,3)27-20(25)22-18(19(23)24)13-15-9-11-17(12-10-15)26-14-16-7-5-4-6-8-16/h2*4-12,18H,13-14H2,1-3H3,(H,22,25)(H,23,24)/t2*18-/m00/s1
InChIKey GKEDGYJCDYUGOQ-LNPUJZQQSA-N
Molecular Weight 742.866 g/mol
Nominal Mass 742 u
SMILES C(N[C@](C(O)=O)(CC1=CC=C(C=C1)OCC1=CC=CC=C1)[H])(=O)OC(C)(C)C.C(N[C@]([H])(C(O)=O)CC=1C=CC(=CC1)OCC1=CC=CC=C1)(=O)OC(C)(C)C