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N-(N-((1,1-DIMETHYL)-ETHOXYCARBONYL)-L-PHENYLALANYL)-L-2-METHYLHISTIDINE-METHYLESTER,N-(N-((1,1-DIMETHYL)-ETHOXYCARBONYL)-L-PHENYLALANYL)-D-2

View entire compound with spectra: 1 NMR

N-(N-((1,1-DIMETHYL)-ETHOXYCARBONYL)-L-PHENYLALANYL)-L-2-METHYLHISTIDINE-METHYLESTER,N-(N-((1,1-DIMETHYL)-ETHOXYCARBONYL)-L-PHENYLALANYL)-D-2
SpectraBase Compound ID 1sJf8ipNGAw
InChI InChI=1S/2C22H30N4O5/c2*1-14-23-13-16(24-14)12-18(20(28)30-5)25-19(27)17(11-15-9-7-6-8-10-15)26-21(29)31-22(2,3)4/h2*6-10,13,17-18H,11-12H2,1-5H3,(H,23,24)(H,25,27)(H,26,29)/t17-,18+;17-,18-/m00/s1
InChIKey KDUYVXFXMLRVMT-PNNHTFJHSA-N
Mol Weight 861.01 g/mol
Molecular Formula C44H60N8O10
Exact Mass 860.44324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FZ1ytn5SVV1
Name N-(N-((1,1-DIMETHYL)-ETHOXYCARBONYL)-L-PHENYLALANYL)-L-2-METHYLHISTIDINE-METHYLESTER,N-(N-((1,1-DIMETHYL)-ETHOXYCARBONYL)-L-PHENYLALANYL)-D-2
Compound Number 22A,22B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H60N8O10
InChI InChI=1S/2C22H30N4O5/c2*1-14-23-13-16(24-14)12-18(20(28)30-5)25-19(27)17(11-15-9-7-6-8-10-15)26-21(29)31-22(2,3)4/h2*6-10,13,17-18H,11-12H2,1-5H3,(H,23,24)(H,25,27)(H,26,29)/t17-,18+;17-,18-/m00/s1
InChIKey KDUYVXFXMLRVMT-PNNHTFJHSA-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 861.008 g/mol
Solvent CDCl3
Source File Reference UWRJ40