![BOC-L-PHE-L-ALA-PHI-[CN4]-L-ALA-OH](/api/spectrum/AjIoBuusAaI/structure.png?h=300&w=458 "BOC-L-PHE-L-ALA-PHI-[CN4]-L-ALA-OH")
| SpectraBase Compound ID | 7zO6ENDnUKK |
|---|---|
| InChI | InChI=1S/C20H28N6O5/c1-12(16-23-24-25-26(16)13(2)18(28)29)21-17(27)15(11-14-9-7-6-8-10-14)22-19(30)31-20(3,4)5/h6-10,12-13,15H,11H2,1-5H3,(H,21,27)(H,22,30)(H,28,29)/t12?,13?,15-/m0/s1 |
| InChIKey | QJOQPGBYCISMPB-PIMMBPRGSA-N |
| Mol Weight | 432.48 g/mol |
| Molecular Formula | C20H28N6O5 |
| Exact Mass | 432.212118 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AjIoBuusAaI |
|---|---|
| Name | BOC-L-PHE-L-ALA-PHI-[CN4]-L-ALA-OH |
| CAS Registry Number | 137259-48-4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H28N6O5 |
| InChI | InChI=1S/C20H28N6O5/c1-12(16-23-24-25-26(16)13(2)18(28)29)21-17(27)15(11-14-9-7-6-8-10-14)22-19(30)31-20(3,4)5/h6-10,12-13,15H,11H2,1-5H3,(H,21,27)(H,22,30)(H,28,29)/t12?,13?,15-/m0/s1 |
| InChIKey | QJOQPGBYCISMPB-PIMMBPRGSA-N |
| Literature Reference Author | J.ZABROCKI,J.B.DUNBAR,K.W.MARSHALL,M.V.TOTH,G.R.MARSHALL |
| Literature Reference Citation | J.ORG.CHEM.,57,202(1992) |
| Literature Reference DOI | 10.1021/jo00027a038 |
| Molecular Weight | 432.480 g/mol |
| Solvent | DMSO |
| Source File Reference | UWCS1689 |