John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=C8XQdi5sqXD SpectraBase Spectrum ID=5A15JhDJCI8

(accessed ).
VALINE-(BENZYLOXYCARBONYL)LYSINE-VALINE-TYROSINE-PROLINE-O-BENZYLPENTAPEPTIDE
SpectraBase Compound ID C8XQdi5sqXD
InChI InChI=1S/C45H60N6O9/c1-29(2)38(46)41(54)48-35(18-11-12-24-47-45(58)60-28-33-16-9-6-10-17-33)40(53)50-39(30(3)4)42(55)49-36(26-31-20-22-34(52)23-21-31)43(56)51-25-13-19-37(51)44(57)59-27-32-14-7-5-8-15-32/h5-10,14-17,20-23,29-30,35-39,52H,11-13,18-19,24-28,46H2,1-4H3,(H,47,58)(H,48,54)(H,49,55)(H,50,53)/t35-,36-,37-,38-,39-/m1/s1
InChIKey UXEGPMHNXANJIW-ZWEDQWJISA-N
Mol Weight 829.0 g/mol
Molecular Formula C45H60N6O9
Exact Mass 828.442178 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5A15JhDJCI8
Name VALINE-(BENZYLOXYCARBONYL)LYSINE-VALINE-TYROSINE-PROLINE-O-BENZYLPENTAPEPTIDE
Comments 6
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C45H60N6O9
InChI InChI=1S/C45H60N6O9/c1-29(2)38(46)41(54)48-35(18-11-12-24-47-45(58)60-28-33-16-9-6-10-17-33)40(53)50-39(30(3)4)42(55)49-36(26-31-20-22-34(52)23-21-31)43(56)51-25-13-19-37(51)44(57)59-27-32-14-7-5-8-15-32/h5-10,14-17,20-23,29-30,35-39,52H,11-13,18-19,24-28,46H2,1-4H3,(H,47,58)(H,48,54)(H,49,55)(H,50,53)/t35-,36-,37-,38-,39-/m1/s1
InChIKey UXEGPMHNXANJIW-ZWEDQWJISA-N
Instrument Name Bruker WP-80
Literature Reference V.I.SVERGUN, M.B.SMIRNOV, A.A.ANTONOV, E.P.KRYSIN, V.P.PANOV, T.KH.NIKITINA(1981) Khim.Farm.Zhurn.(Russ. Lang.): N5, 92-97.
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2D6SO dimethylsulfo
SpectraBase Batch ID Gk8B4vhMXuM