| SpectraBase Compound ID | GQSkS0IPrqU |
|---|---|
| InChI | InChI=1S/C23H36N2O5/c1-5-8-15-20(22(27)30-17(4)7-3)24-21(26)19(12-6-2)25-23(28)29-16-18-13-10-9-11-14-18/h9-11,13-14,17,19-20H,5-8,12,15-16H2,1-4H3,(H,24,26)(H,25,28) |
| InChIKey | PEDAYSZZXSKBBA-UHFFFAOYSA-N |
| Mol Weight | 420.6 g/mol |
| Molecular Formula | C23H36N2O5 |
| Exact Mass | 420.262422 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1vgM17fpkZ7 |
|---|---|
| Name | L-nva- L-nle, N-(Benzyloxycarbonyl)-, 2-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 420.262422262 u |
| Formula | C23H36N2O5 |
| InChI | InChI=1S/C23H36N2O5/c1-5-8-15-20(22(27)30-17(4)7-3)24-21(26)19(12-6-2)25-23(28)29-16-18-13-10-9-11-14-18/h9-11,13-14,17,19-20H,5-8,12,15-16H2,1-4H3,(H,24,26)(H,25,28) |
| InChIKey | PEDAYSZZXSKBBA-UHFFFAOYSA-N |
| Molecular Weight | 420.550 g/mol |
| SMILES | C1(=CC=CC=C1)COC(NC(C(NC(CCCC)C(=O)OC(CC)C)=O)CCC)=O |