| SpectraBase Compound ID | 4U1FUUV9Y8y |
|---|---|
| InChI | InChI=1S/C35H53N7O7/c1-20(2)14-26(31(44)40-28(35(48)49)17-24-18-36-19-37-24)39-34(47)30(22(5)6)41-32(45)27(15-21(3)4)38-33(46)29(42(7,8)9)16-23-10-12-25(43)13-11-23/h10-13,17-22,26-27,29-30H,14-16H2,1-9H3,(H6-,36,37,38,39,40,41,43,44,45,46,47,48,49)/b28-17-/t26-,27-,29?,30-/m0/s1 |
| InChIKey | RRQDLZNHFKNRNX-FVIBFJSKSA-N |
| Mol Weight | 683.9 g/mol |
| Molecular Formula | C35H53N7O7 |
| Exact Mass | 683.400647 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 753sCWmHk6u |
|---|---|
| Name | 4862F;N,N,N-(TRIMETHYLATED)-TYR-L-LEU-L-VAL-L-LEU-(DEHYDRATED)-HIS |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H53N7O7 |
| InChI | InChI=1S/C35H53N7O7/c1-20(2)14-26(31(44)40-28(35(48)49)17-24-18-36-19-37-24)39-34(47)30(22(5)6)41-32(45)27(15-21(3)4)38-33(46)29(42(7,8)9)16-23-10-12-25(43)13-11-23/h10-13,17-22,26-27,29-30H,14-16H2,1-9H3,(H6-,36,37,38,39,40,41,43,44,45,46,47,48,49)/b28-17-/t26-,27-,29?,30-/m0/s1 |
| InChIKey | RRQDLZNHFKNRNX-FVIBFJSKSA-N |
| Literature Reference Author | X.LIU,M.GAN,B.DONG,T.ZHANG,Y.LI,Y.ZHANG,X.FAN,Y.WU,S.BAI,M.C HEN,L.YU,P.TAO |
| Literature Reference Citation | MOLECULES,18,236(2013) |
| Literature Reference DOI | 10.3390/molecules18010236 |
| Molecular Weight | 683.849 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWBT8773 |