| SpectraBase Compound ID | 8bbG5C59AeA |
|---|---|
| InChI | InChI=1S/2C23H32N4O5/c2*1-22(2,3)32-21(30)27-18(23(4,5)15-10-8-7-9-11-15)19(28)26-17(20(29)31-6)12-16-13-24-14-25-16/h2*7-11,13-14,17-18H,12H2,1-6H3,(H,24,25)(H,26,28)(H,27,30)/t17-,18+;17-,18-/m11/s1 |
| InChIKey | MKYLUOYRHCTEER-TZFDRBQMSA-N |
| Mol Weight | 889.1 g/mol |
| Molecular Formula | C46H64N8O10 |
| Exact Mass | 888.47454 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JTXaQNa2Tc4 |
|---|---|
| Name | (S-(R*,R*)-N-(2-(((1,1-DIMETHYL)-ETHOXYCARBONYL)-AMINO)-3-METHYL-3-PHENYL-1-OXO-BUTYL)-HISTIDINE-METHYLESTER,(S-(R*,S*)- |
| Compound Number | 20A,20B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H64N8O10 |
| InChI | InChI=1S/2C23H32N4O5/c2*1-22(2,3)32-21(30)27-18(23(4,5)15-10-8-7-9-11-15)19(28)26-17(20(29)31-6)12-16-13-24-14-25-16/h2*7-11,13-14,17-18H,12H2,1-6H3,(H,24,25)(H,26,28)(H,27,30)/t17-,18+;17-,18-/m11/s1 |
| InChIKey | MKYLUOYRHCTEER-TZFDRBQMSA-N |
| Literature Reference Author | CR.NOE,A.WEIGAND,S.PIRKER,P.LIEPERT |
| Literature Reference Citation | MH.CHEM.,128,301(1997) |
| Literature Reference DOI | 10.1007/BF00807896 |
| Molecular Weight | 889.062 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRJ39 |