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N-[(BENZYLOXY)-CARBONYL]-L-LEUCYL-2-METHYLALANYL-L-PROLYL-L-VALYL-2-METHYLALANYL-2-METHYLALANINE-DIMETHYLAMIDE
SpectraBase Compound ID K3jFfvK6Ksz
InChI InChI=1S/C43H63N7O8/c1-27(2)25-31(44-40(57)58-26-29-19-14-12-15-20-29)34(51)46-43(9,10)39(56)50-24-18-23-32(50)35(52)45-33(28(3)4)36(53)47-41(5,6)37(54)48-42(7,8)38(55)49(11)30-21-16-13-17-22-30/h12-17,19-22,27-28,31-33H,18,23-26H2,1-11H3,(H,44,57)(H,45,52)(H,46,51)(H,47,53)(H,48,54)/t31-,32?,33-/m1/s1
InChIKey LGTUFHLEEDKDKG-GECYMCALSA-N
Mol Weight 806.0 g/mol
Molecular Formula C43H63N7O8
Exact Mass 805.473812 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3rORCqbBKAi
Name N-[(BENZYLOXY)-CARBONYL]-L-LEUCYL-2-METHYLALANYL-L-PROLYL-L-VALYL-2-METHYLALANYL-2-METHYLALANINE-DIMETHYLAMIDE
Compound Number 7A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H63N7O8
InChI InChI=1S/C43H63N7O8/c1-27(2)25-31(44-40(57)58-26-29-19-14-12-15-20-29)34(51)46-43(9,10)39(56)50-24-18-23-32(50)35(52)45-33(28(3)4)36(53)47-41(5,6)37(54)48-42(7,8)38(55)49(11)30-21-16-13-17-22-30/h12-17,19-22,27-28,31-33H,18,23-26H2,1-11H3,(H,44,57)(H,45,52)(H,46,51)(H,47,53)(H,48,54)/t31-,32?,33-/m1/s1
InChIKey LGTUFHLEEDKDKG-GECYMCALSA-N
Literature Reference Author P.WIPF,H.HEIMGARTNER
Literature Reference Citation HELV.CHIM.ACTA,73,13(1990)
Literature Reference DOI 10.1002/hlca.19900730103
Molecular Weight 806.015 g/mol
Solvent CDCl3
Source File Reference UWCS12388