| SpectraBase Compound ID | 2bUzEi7o2z8 |
|---|---|
| InChI | InChI=1S/C39H61F3N8O7S2/c1-26(13-12-14-27(2)46-23-30(51)36(50-43)39(40,41)42)19-22-58-24-29(37(55)57-3)47-34(54)18-7-5-11-21-44-32(52)16-6-4-10-20-45-33(53)17-9-8-15-31-35-28(25-59-31)48-38(56)49-35/h14,19,28-29,31,35,46H,4-13,15-18,20-25H2,1-3H3,(H,44,52)(H,45,53)(H,47,54)(H2,48,49,56)/b26-19+,27-14+/t28-,29-,31-,35-/m0/s1 |
| InChIKey | AXVYGGDKOSAYRV-KMPQASGOSA-N |
| Mol Weight | 875.1 g/mol |
| Molecular Formula | C39H61F3N8O7S2 |
| Exact Mass | 874.405673 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kpf6ZcbEmEd |
|---|---|
| Name | #2;DESIRED-ISOMER;N-[6-((6-((BIOTINOYL)-AMINO)-HEXANOYL)-CYSTEINE-METHYLESTER-[S-(E,E)-3,7-DIMETHYL-2,6-OCTADIENE-8-[(E)-4-N-(2-DIAZO-3,3,3-TRIFLUOROPROPIONAMI |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H61F3N8O7S2 |
| InChI | InChI=1S/C39H61F3N8O7S2/c1-26(13-12-14-27(2)46-23-30(51)36(50-43)39(40,41)42)19-22-58-24-29(37(55)57-3)47-34(54)18-7-5-11-21-44-32(52)16-6-4-10-20-45-33(53)17-9-8-15-31-35-28(25-59-31)48-38(56)49-35/h14,19,28-29,31,35,46H,4-13,15-18,20-25H2,1-3H3,(H,44,52)(H,45,53)(H,47,54)(H2,48,49,56)/b26-19+,27-14+/t28-,29-,31-,35-/m0/s1 |
| InChIKey | AXVYGGDKOSAYRV-KMPQASGOSA-N |
| Literature Reference Author | T.A.KALE,M.D.DISTEFANO |
| Literature Reference Citation | ORG.LETTERS,5,609(2003) |
| Literature Reference DOI | 10.1021/ol026752a |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU49475 |