| 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
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| SpectraBase Spectrum ID | 4f7a84O0YdU |
|---|---|
| Name | D-(L-A-Amino-adipolyl)-L-cysteinyl-D-valine disulfide |
| Comments | 13C LABELLED AT C14,C15, 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 |