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N-(4-Methoxy-benzyloxycarbonyl)-A-(4-methoxy-benzyl-ester)-D-L-A-amino-adipoyl-L-vinyl-glycine-D-valine benzhydryl ester
SpectraBase Compound ID DeU3AFDfTz4
InChI InChI=1S/C45H51N3O10/c1-6-37(42(50)48-40(30(2)3)44(52)58-41(33-14-9-7-10-15-33)34-16-11-8-12-17-34)46-39(49)19-13-18-38(43(51)56-28-31-20-24-35(54-4)25-21-31)47-45(53)57-29-32-22-26-36(55-5)27-23-32/h6-12,14-17,20-27,30,37-38,40-41H,1,13,18-19,28-29H2,2-5H3,(H,46,49)(H,47,53)(H,48,50)
InChIKey BYIMMJWYCJLDBW-UHFFFAOYSA-N
Mol Weight 793.9 g/mol
Molecular Formula C45H51N3O10
Exact Mass 793.357445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GtNcbjar94W
Name N-(4-Methoxy-benzyloxycarbonyl)-A-(4-methoxy-benzyl-ester)-D-L-A-amino-adipoyl-L-vinyl-glycine-D-valine benzhydryl ester
Comments ARYL C-5,4,6,13,14,18,40-45,34-39 SIGNALS AT 139.53-126.96 PPM, ARYL C-3,7,15,17 SIGNALS AT 114.02-113.91 PPM
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Formula C45H51N3O10
InChI InChI=1S/C45H51N3O10/c1-6-37(42(50)48-40(30(2)3)44(52)58-41(33-14-9-7-10-15-33)34-16-11-8-12-17-34)46-39(49)19-13-18-38(43(51)56-28-31-20-24-35(54-4)25-21-31)47-45(53)57-29-32-22-26-36(55-5)27-23-32/h6-12,14-17,20-27,30,37-38,40-41H,1,13,18-19,28-29H2,2-5H3,(H,46,49)(H,47,53)(H,48,50)
InChIKey BYIMMJWYCJLDBW-UHFFFAOYSA-N
Instrument Name Bruker AM-500
Literature Reference J.E. Baldwin, M. Bradley, R.M. Adlington, Tetrahedron 47, 457 (1991).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3