| SpectraBase Compound ID | 4AVqXGz4wsc |
|---|---|
| InChI | InChI=1S/C22H40N4O6/c1-11(2)10-16(19(28)23-14(7)22(31)32-9)25-20(29)18(13(5)6)26-21(30)17(12(3)4)24-15(8)27/h11-14,16-18H,10H2,1-9H3,(H,23,28)(H,24,27)(H,25,29)(H,26,30) |
| InChIKey | ZXKBPODMCPOKMX-UHFFFAOYSA-N |
| Mol Weight | 456.6 g/mol |
| Molecular Formula | C22H40N4O6 |
| Exact Mass | 456.294785 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6KhzTzKiXnI |
|---|---|
| Name | N-Acetyl-valyl-valyl-leucyl-alanine methylester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 456.294785018 u |
| Formula | C22H40N4O6 |
| InChI | InChI=1S/C22H40N4O6/c1-11(2)10-16(19(28)23-14(7)22(31)32-9)25-20(29)18(13(5)6)26-21(30)17(12(3)4)24-15(8)27/h11-14,16-18H,10H2,1-9H3,(H,23,28)(H,24,27)(H,25,29)(H,26,30) |
| InChIKey | ZXKBPODMCPOKMX-UHFFFAOYSA-N |
| Molecular Weight | 456.584 g/mol |
| SMILES | C(NC(C(NC(C)=O)C(C)C)=O)(C(NC(C(NC(C)C(OC)=O)=O)CC(C)C)=O)C(C)C |