| SpectraBase Compound ID | 3Ka9T0PXSSo |
|---|---|
| InChI | InChI=1S/C34H42N10O10S2.2C2HF3O2/c35-11-3-1-5-17-31-41-21(13-53-31)27(49)39-20(8-10-26(47)48)34-44-24(16-56-34)30(52)38-18(6-2-4-12-36)32-42-22(14-54-32)28(50)40-19(7-9-25(45)46)33-43-23(15-55-33)29(51)37-17;2*3-2(4,5)1(6)7/h13-20H,1-12,35-36H2,(H,37,51)(H,38,52)(H,39,49)(H,40,50)(H,45,46)(H,47,48);2*(H,6,7)/t17-,18-,19-,20-;;/m1../s1 |
| InChIKey | NQVNJAAWXOYBTC-KGRWTHODSA-N |
| Mol Weight | 1042.936 g/mol |
| Molecular Formula | C38H44F6N10O14S2 |
| Exact Mass | 1042.238407 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ETp8L9CZE2P |
|---|---|
| Name | CYCLO-(-LYS-(OXAZOLE)-GLU-(THIAZOLE)-)-(2)*2-TRIFLUOROACETIC-ACID |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H44F6N10O14S2 |
| InChI | InChI=1S/C34H42N10O10S2.2C2HF3O2/c35-11-3-1-5-17-31-41-21(13-53-31)27(49)39-20(8-10-26(47)48)34-44-24(16-56-34)30(52)38-18(6-2-4-12-36)32-42-22(14-54-32)28(50)40-19(7-9-25(45)46)33-43-23(15-55-33)29(51)37-17;2*3-2(4,5)1(6)7/h13-20H,1-12,35-36H2,(H,37,51)(H,38,52)(H,39,49)(H,40,50)(H,45,46)(H,47,48);2*(H,6,7)/t17-,18-,19-,20-;;/m1../s1 |
| InChIKey | NQVNJAAWXOYBTC-KGRWTHODSA-N |
| Literature Reference Author | Y.SINGH,M.J.STOERMER,A.J.LUCKE,M.P.GLENN,D.P.FAIRLIE |
| Literature Reference Citation | ORG.LETTERS,4,3367(2002) |
| Literature Reference DOI | 10.1021/ol026463m |
| Molecular Weight | 1042.936 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWSI27056 |