![(2-Leucine-3-proline-4-[.alpha.,.alpha.-dideuterio-glycine])-ocytocin](/api/spectrum/FvIvW7gEVgU/structure.png?h=300&w=458 "(2-Leucine-3-proline-4-[.alpha.,.alpha.-dideuterio-glycine])-ocytocin")
| SpectraBase Compound ID | HrFA2nDWU8o |
|---|---|
| InChI | InChI=1S/C36H59N11O10S2/c1-18(2)11-21(31(52)40-14-28(39)49)43-34(55)26-8-6-10-47(26)36(57)24-17-59-58-16-20(37)30(51)44-23(12-19(3)4)35(56)46-9-5-7-25(46)33(54)41-15-29(50)42-22(13-27(38)48)32(53)45-24/h18-26H,5-17,37H2,1-4H3,(H2,38,48)(H2,39,49)(H,40,52)(H,41,54)(H,42,50)(H,43,55)(H,44,51)(H,45,53)/i15D2 |
| InChIKey | AJDIHGSHEUOYAU-DOBBINOXSA-N |
| Mol Weight | 872.1 g/mol |
| Molecular Formula | C36H57D2N11O10S2 |
| Exact Mass | 871.401333 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FvIvW7gEVgU |
|---|---|
| Name | (2-Leucine-3-proline-4-[.alpha.,.alpha.-dideuterio-glycine])-ocytocin |
| Comments | PH = 3.5 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C36H57D2N11O10S2 |
| InChI | InChI=1S/C36H59N11O10S2/c1-18(2)11-21(31(52)40-14-28(39)49)43-34(55)26-8-6-10-47(26)36(57)24-17-59-58-16-20(37)30(51)44-23(12-19(3)4)35(56)46-9-5-7-25(46)33(54)41-15-29(50)42-22(13-27(38)48)32(53)45-24/h18-26H,5-17,37H2,1-4H3,(H2,38,48)(H2,39,49)(H,40,52)(H,41,54)(H,42,50)(H,43,55)(H,44,51)(H,45,53)/i15D2 |
| InChIKey | AJDIHGSHEUOYAU-DOBBINOXSA-N |
| Instrument Name | Bruker HX-270 |
| Literature Reference | R. Deslauriers, I.C.P. Smith, G.C.Levy, J. Am. Chem. Soc. 100, 3912 (1978). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | D2O |