![BOC-L-PHE-L-ALA-PHI-[CN4]-L-ALA-OBZL](/api/spectrum/LJb8JOZeosK/structure.png?h=300&w=458 "BOC-L-PHE-L-ALA-PHI-[CN4]-L-ALA-OBZL")
| SpectraBase Compound ID | K3QiEAPBcwu |
|---|---|
| InChI | InChI=1S/C27H34N6O5/c1-18(23-30-31-32-33(23)19(2)25(35)37-17-21-14-10-7-11-15-21)28-24(34)22(16-20-12-8-6-9-13-20)29-26(36)38-27(3,4)5/h6-15,18-19,22H,16-17H2,1-5H3,(H,28,34)(H,29,36)/t18?,19-,22-/m0/s1 |
| InChIKey | QCDCHYMNMKNHSX-MLLWHUAMSA-N |
| Mol Weight | 522.6 g/mol |
| Molecular Formula | C27H34N6O5 |
| Exact Mass | 522.259068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LJb8JOZeosK |
|---|---|
| Name | BOC-L-PHE-L-ALA-PHI-[CN4]-L-ALA-OBZL |
| CAS Registry Number | 137234-21-0 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H34N6O5 |
| InChI | InChI=1S/C27H34N6O5/c1-18(23-30-31-32-33(23)19(2)25(35)37-17-21-14-10-7-11-15-21)28-24(34)22(16-20-12-8-6-9-13-20)29-26(36)38-27(3,4)5/h6-15,18-19,22H,16-17H2,1-5H3,(H,28,34)(H,29,36)/t18?,19-,22-/m0/s1 |
| InChIKey | QCDCHYMNMKNHSX-MLLWHUAMSA-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 | 522.604 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS1688 |