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N-BENZYL-ALPHA-ASPARTYL-(BETA-BENZYL)-PHENYLALANINE-METHYLESTER;N-BZL-ASP-(OBZL)-PHE-OME

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N-BENZYL-ALPHA-ASPARTYL-(BETA-BENZYL)-PHENYLALANINE-METHYLESTER;N-BZL-ASP-(OBZL)-PHE-OME
SpectraBase Compound ID DpibPLWvBXC
InChI InChI=1S/C56H58N4O10/c1-67-55(65)47(33-41-21-9-3-10-22-41)57-53(63)49(35-51(61)69-39-45-29-17-7-18-30-45)59(37-43-25-13-5-14-26-43)60(38-44-27-15-6-16-28-44)50(36-52(62)70-40-46-31-19-8-20-32-46)54(64)58-48(56(66)68-2)34-42-23-11-4-12-24-42/h3-32,47-50H,33-40H2,1-2H3,(H,57,63)(H,58,64)
InChIKey CQYQPERWARDLDI-UHFFFAOYSA-N
Mol Weight 947.1 g/mol
Molecular Formula C56H58N4O10
Exact Mass 946.415294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K1Cw3OQGAit
Name N-BENZYL-ALPHA-ASPARTYL-(BETA-BENZYL)-PHENYLALANINE-METHYLESTER;N-BZL-ASP-(OBZL)-PHE-OME
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H58N4O10
InChI InChI=1S/C56H58N4O10/c1-67-55(65)47(33-41-21-9-3-10-22-41)57-53(63)49(35-51(61)69-39-45-29-17-7-18-30-45)59(37-43-25-13-5-14-26-43)60(38-44-27-15-6-16-28-44)50(36-52(62)70-40-46-31-19-8-20-32-46)54(64)58-48(56(66)68-2)34-42-23-11-4-12-24-42/h3-32,47-50H,33-40H2,1-2H3,(H,57,63)(H,58,64)
InChIKey CQYQPERWARDLDI-UHFFFAOYSA-N
Literature Reference Author C.GRIEHL,D.STROEHL,H.JESCHKEIT,E.KLEINPETER
Literature Reference Citation MH.CHEM.,123,647(1992)
Literature Reference DOI 10.1007/BF00816859
Molecular Weight 947.097 g/mol
Solvent DMSO-6;C=100MG/3ML
Source File Reference UWCS21094