| SpectraBase Compound ID | F8a5EdfULSg |
|---|---|
| InChI | InChI=1S/C34H47N5O4/c1-8-43-34(42)31(18-23(4)5)38-33(41)30(19-25-21-36-28-12-10-9-11-27(25)28)37-32(40)29(17-22(2)3)35-20-24-13-15-26(16-14-24)39(6)7/h9-16,20-23,29-31,36H,8,17-19H2,1-7H3,(H,37,40)(H,38,41)/b35-20+ |
| InChIKey | DQQLFFRGQNWDPG-JEPNHJGPSA-N |
| Mol Weight | 589.8 g/mol |
| Molecular Formula | C34H47N5O4 |
| Exact Mass | 589.362805 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AY3Ogam2syE |
|---|---|
| Name | p-Dimethylaminobenzylideneleucyltryptophylleucine ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 589.362805009 u |
| Formula | C34H47N5O4 |
| InChI | InChI=1S/C34H47N5O4/c1-8-43-34(42)31(18-23(4)5)38-33(41)30(19-25-21-36-28-12-10-9-11-27(25)28)37-32(40)29(17-22(2)3)35-20-24-13-15-26(16-14-24)39(6)7/h9-16,20-23,29-31,36H,8,17-19H2,1-7H3,(H,37,40)(H,38,41)/b35-20+ |
| InChIKey | DQQLFFRGQNWDPG-JEPNHJGPSA-N |
| Molecular Weight | 589.781 g/mol |
| SMILES | C1(=CNC2=C1C=CC=C2)CC(C(NC(C(=O)OCC)CC(C)C)=O)NC(C(\N=C\C=1C=CC(=CC1)N(C)C)CC(C)C)=O |