| SpectraBase Compound ID | 2oD2PzB2YDG |
|---|---|
| InChI | InChI=1S/C22H34N2O5/c1-5-7-14-19(21(26)29-16(3)4)23-20(25)18(11-6-2)24-22(27)28-15-17-12-9-8-10-13-17/h8-10,12-13,16,18-19H,5-7,11,14-15H2,1-4H3,(H,23,25)(H,24,27) |
| InChIKey | GXVVFPIHACHLOH-UHFFFAOYSA-N |
| Mol Weight | 406.5 g/mol |
| Molecular Formula | C22H34N2O5 |
| Exact Mass | 406.246772 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6udFeCpvL5Q |
|---|---|
| Name | L-nva- L-nle, N-(Benzyloxycarbonyl)-, isopropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 406.246772198 u |
| Formula | C22H34N2O5 |
| InChI | InChI=1S/C22H34N2O5/c1-5-7-14-19(21(26)29-16(3)4)23-20(25)18(11-6-2)24-22(27)28-15-17-12-9-8-10-13-17/h8-10,12-13,16,18-19H,5-7,11,14-15H2,1-4H3,(H,23,25)(H,24,27) |
| InChIKey | GXVVFPIHACHLOH-UHFFFAOYSA-N |
| Molecular Weight | 406.523 g/mol |
| SMILES | C1(=CC=CC=C1)COC(NC(C(NC(CCCC)C(=O)OC(C)C)=O)CCC)=O |