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(S-(R*,R*))-N-(2-(((1,1-DIMETHYL)-ETHOXYCARBONYL)-AMINO)-3,3-DIPHENYL-1-OXO-PROPYL)-HISTIDINE-METHYLESTER
SpectraBase Compound ID Abdq7ttxT8P
InChI InChI=1S/C27H32N4O5/c1-27(2,3)36-26(34)31-23(22(18-11-7-5-8-12-18)19-13-9-6-10-14-19)24(32)30-21(25(33)35-4)15-20-16-28-17-29-20/h5-14,16-17,21-23H,15H2,1-4H3,(H,28,29)(H,30,32)(H,31,34)/t21-,23+/m0/s1
InChIKey KQQYTGRZRZGELL-JTHBVZDNSA-N
Mol Weight 492.6 g/mol
Molecular Formula C27H32N4O5
Exact Mass 492.23727 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3zCsGkdzQFC
Name (S-(R*,R*))-N-(2-(((1,1-DIMETHYL)-ETHOXYCARBONYL)-AMINO)-3,3-DIPHENYL-1-OXO-PROPYL)-HISTIDINE-METHYLESTER
Compound Number 24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H32N4O5
InChI InChI=1S/C27H32N4O5/c1-27(2,3)36-26(34)31-23(22(18-11-7-5-8-12-18)19-13-9-6-10-14-19)24(32)30-21(25(33)35-4)15-20-16-28-17-29-20/h5-14,16-17,21-23H,15H2,1-4H3,(H,28,29)(H,30,32)(H,31,34)/t21-,23+/m0/s1
InChIKey KQQYTGRZRZGELL-JTHBVZDNSA-N
Literature Reference Author CR.NOE,A.WEIGAND,S.PIRKER,P.LIEPERT
Literature Reference Citation MH.CHEM.,128,301(1997)
Literature Reference DOI 10.1007/BF00807896
Molecular Weight 492.575 g/mol
Solvent CDCl3
Source File Reference UWRJ31