| SpectraBase Compound ID | AAveRe9fJZY |
|---|---|
| InChI | InChI=1S/C34H47N5O5/c1-8-44-34(43)30(17-22(4)5)38-33(42)29(19-24-20-35-27-15-10-9-14-26(24)27)37-32(41)28(16-21(2)3)36-31(40)23-12-11-13-25(18-23)39(6)7/h9-15,18,20-22,28-30,35H,8,16-17,19H2,1-7H3,(H,36,40)(H,37,41)(H,38,42) |
| InChIKey | OBXWRMKGGMTEGY-UHFFFAOYSA-N |
| Mol Weight | 605.8 g/mol |
| Molecular Formula | C34H47N5O5 |
| Exact Mass | 605.35772 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 824uRm6PuG4 |
|---|---|
| Name | m-Dimethylaminobenzoylleucyltryptophylleucyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 605.357719628 u |
| Formula | C34H47N5O5 |
| InChI | InChI=1S/C34H47N5O5/c1-8-44-34(43)30(17-22(4)5)38-33(42)29(19-24-20-35-27-15-10-9-14-26(24)27)37-32(41)28(16-21(2)3)36-31(40)23-12-11-13-25(18-23)39(6)7/h9-15,18,20-22,28-30,35H,8,16-17,19H2,1-7H3,(H,36,40)(H,37,41)(H,38,42) |
| InChIKey | OBXWRMKGGMTEGY-UHFFFAOYSA-N |
| Molecular Weight | 605.780 g/mol |
| SMILES | C1(=CNC=2C1=CC=CC2)CC(C(NC(C(=O)OCC)CC(C)C)=O)NC(C(NC(C1=CC(N(C)C)=CC=C1)=O)CC(C)C)=O |