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D-(L-A-Amino-adipolyl)-L-cysteinyl-D-valine disulfide
SpectraBase Compound ID 77caPF8XFjS
InChI InChI=1S/C28H48N6O12S2/c1-13(2)21(27(43)44)33-23(37)17(31-19(35)9-5-7-15(29)25(39)40)11-47-48-12-18(24(38)34-22(14(3)4)28(45)46)32-20(36)10-6-8-16(30)26(41)42/h13-18,21-22H,5-12,29-30H2,1-4H3,(H,31,35)(H,32,36)(H,33,37)(H,34,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)
InChIKey IDDVWKVKANRRBF-UHFFFAOYSA-N
Mol Weight 724.8 g/mol
Molecular Formula C28H48N6O12S2
Exact Mass 724.277163 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B0D7YcgCR4q
Name D-(L-A-Amino-adipoyl)-L-cysteinyl-D-valine disulfide
Comments DEUTERATED AT C26,C3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C28H48N6O12S2
InChI InChI=1S/C28H48N6O12S2/c1-13(2)21(27(43)44)33-23(37)17(31-19(35)9-5-7-15(29)25(39)40)11-47-48-12-18(24(38)34-22(14(3)4)28(45)46)32-20(36)10-6-8-16(30)26(41)42/h13-18,21-22H,5-12,29-30H2,1-4H3,(H,31,35)(H,32,36)(H,33,37)(H,34,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)
InChIKey IDDVWKVKANRRBF-UHFFFAOYSA-N
Instrument Name Bruker AM-500
Literature Reference J.E. Baldwin, M. Bradley, R.M. Adlington, Tetrahedron 47, 457 (1991).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O