![L-Phenylalanine, N-[N-[N-[N-[3-[4-(diethylamino)phenyl]-2-propenylidene]-L-phenylalanyl]-L-phenylalanyl]-L-phenylalanyl]-, ethyl ester](/api/spectrum/Kv7kZbLR8ZV/structure.png?h=300&w=458 "L-Phenylalanine, N-[N-[N-[N-[3-[4-(diethylamino)phenyl]-2-propenylidene]-L-phenylalanyl]-L-phenylalanyl]-L-phenylalanyl]-, ethyl ester")
| SpectraBase Compound ID | 5ZxfbH1QaFw |
|---|---|
| InChI | InChI=1S/C51H57N5O5/c1-4-56(5-2)43-31-29-38(30-32-43)28-19-33-52-44(34-39-20-11-7-12-21-39)48(57)53-45(35-40-22-13-8-14-23-40)49(58)54-46(36-41-24-15-9-16-25-41)50(59)55-47(51(60)61-6-3)37-42-26-17-10-18-27-42/h7-33,44-47H,4-6,34-37H2,1-3H3,(H,53,57)(H,54,58)(H,55,59)/b28-19+,52-33+/t44-,45-,46-,47-/m0/s1 |
| InChIKey | GWRXDOWULAQPGV-MZOZXBMSSA-N |
| Mol Weight | 820.0 g/mol |
| Molecular Formula | C51H57N5O5 |
| Exact Mass | 819.43597 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Kv7kZbLR8ZV |
|---|---|
| Name | L-Phenylalanine, N-[N-[N-[N-[3-[4-(diethylamino)phenyl]-2-propenylidene]-L-phenylalanyl]-L-phenylalanyl]-L-phenylalanyl]-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 819.435969950 u |
| Formula | C51H57N5O5 |
| InChI | InChI=1S/C51H57N5O5/c1-4-56(5-2)43-31-29-38(30-32-43)28-19-33-52-44(34-39-20-11-7-12-21-39)48(57)53-45(35-40-22-13-8-14-23-40)49(58)54-46(36-41-24-15-9-16-25-41)50(59)55-47(51(60)61-6-3)37-42-26-17-10-18-27-42/h7-33,44-47H,4-6,34-37H2,1-3H3,(H,53,57)(H,54,58)(H,55,59)/b28-19+,52-33+/t44-,45-,46-,47-/m0/s1 |
| InChIKey | GWRXDOWULAQPGV-MZOZXBMSSA-N |
| Molecular Weight | 820.047 g/mol |
| SMILES | C(N[C@](C(=O)OCC)(CC1=CC=CC=C1)[H])([C@@](NC([C@@](NC([C@@](\N=C\C=C\C1=CC=C(C=C1)N(CC)CC)(CC=1C=CC=CC1)[H])=O)(CC=1C=CC=CC1)[H])=O)(CC=1C=CC=CC1)[H])=O |