John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=4VI56WX67ju SpectraBase Spectrum ID=At0tbXGd5ys

(accessed ).
BENZYLOXYCARBONYL-VALINE-(TERT-BUTYLOXYCARBONYL)LYSINE-VALINE-TYROSINE-PROLINE-O-TERT-BUTYL PENTAPEPTIDE
SpectraBase Compound ID 4VI56WX67ju
InChI InChI=1S/C47H70N6O11/c1-29(2)37(40(56)50-35(27-31-21-23-33(54)24-22-31)42(58)53-26-16-20-36(53)43(59)63-46(5,6)7)51-39(55)34(19-14-15-25-48-44(60)64-47(8,9)10)49-41(57)38(30(3)4)52-45(61)62-28-32-17-12-11-13-18-32/h11-13,17-18,21-24,29-30,34-38,54H,14-16,19-20,25-28H2,1-10H3,(H,48,60)(H,49,57)(H,50,56)(H,51,55)(H,52,61)/t34-,35-,36-,37-,38-/m1/s1
InChIKey MXWLXJAUMXXQIA-OHTWKVNYSA-N
Mol Weight 895.1 g/mol
Molecular Formula C47H70N6O11
Exact Mass 894.510258 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID At0tbXGd5ys
Name BENZYLOXYCARBONYL-VALINE-(TERT-BUTYLOXYCARBONYL)LYSINE-VALINE-TYROSINE-PROLINE-O-TERT-BUTYL PENTAPEPTIDE
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Formula C47H70N6O11
InChI InChI=1S/C47H70N6O11/c1-29(2)37(40(56)50-35(27-31-21-23-33(54)24-22-31)42(58)53-26-16-20-36(53)43(59)63-46(5,6)7)51-39(55)34(19-14-15-25-48-44(60)64-47(8,9)10)49-41(57)38(30(3)4)52-45(61)62-28-32-17-12-11-13-18-32/h11-13,17-18,21-24,29-30,34-38,54H,14-16,19-20,25-28H2,1-10H3,(H,48,60)(H,49,57)(H,50,56)(H,51,55)(H,52,61)/t34-,35-,36-,37-,38-/m1/s1
InChIKey MXWLXJAUMXXQIA-OHTWKVNYSA-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 IpeLSygGli6