![N-[N-(TERT.-BUTOXYCARBONYL)-N-METHYL-LEUCYL-(ALPHA,BETA-DIDEHYDRO)-ALANYL]-O-TERT.-BUTYL-L-ALANIN;DIASTEREOMER-1](/api/spectrum/IuD2CQ13zNF/structure.png?h=300&w=458 "N-[N-(TERT.-BUTOXYCARBONYL)-N-METHYL-LEUCYL-(ALPHA,BETA-DIDEHYDRO)-ALANYL]-O-TERT.-BUTYL-L-ALANIN;DIASTEREOMER-1")
| SpectraBase Compound ID | L2ijllNPdnQ |
|---|---|
| InChI | InChI=1S/C22H39N3O6/c1-13(2)12-16(25(11)20(29)31-22(8,9)10)18(27)23-14(3)17(26)24-15(4)19(28)30-21(5,6)7/h13,15-16H,3,12H2,1-2,4-11H3,(H,23,27)(H,24,26)/t15-,16-/m0/s1 |
| InChIKey | KHOPNKLVPYBEBH-HOTGVXAUSA-N |
| Mol Weight | 441.6 g/mol |
| Molecular Formula | C22H39N3O6 |
| Exact Mass | 441.283886 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IuD2CQ13zNF |
|---|---|
| Name | N-[N-(TERT.-BUTOXYCARBONYL)-N-METHYL-LEUCYL-(ALPHA,BETA-DIDEHYDRO)-ALANYL]-O-TERT.-BUTYL-L-ALANIN;DIASTEREOMER-2 |
| Compound Number | 23 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H39N3O6 |
| InChI | InChI=1S/C22H39N3O6/c1-13(2)12-16(25(11)20(29)31-22(8,9)10)18(27)23-14(3)17(26)24-15(4)19(28)30-21(5,6)7/h13,15-16H,3,12H2,1-2,4-11H3,(H,23,27)(H,24,26)/t15-,16-/m0/s1 |
| InChIKey | KHOPNKLVPYBEBH-HOTGVXAUSA-N |
| Literature Reference Author | T.L.SOMMERFELD,D.SEEBACH |
| Literature Reference Citation | HELV.CHIM.ACTA,76,1702(1993) |
| Literature Reference DOI | 10.1002/hlca.19930760427 |
| Molecular Weight | 441.568 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRK2014 |