| SpectraBase Compound ID | I9V8Alrc7j1 |
|---|---|
| InChI | InChI=1S/C27H36N4O6/c1-19(32)29-21-13-15-22(16-14-21)30-24(33)23(12-8-9-17-28-25(34)37-27(2,3)4)31-26(35)36-18-20-10-6-5-7-11-20/h5-7,10-11,13-16,23H,8-9,12,17-18H2,1-4H3,(H,28,34)(H,29,32)(H,30,33)(H,31,35) |
| InChIKey | WFWXJXBBEICPIJ-UHFFFAOYSA-N |
| Mol Weight | 512.6 g/mol |
| Molecular Formula | C27H36N4O6 |
| Exact Mass | 512.263485 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4gaXAJCbXUK |
|---|---|
| Name | N(2)-(Benzyloxycarbonyl)-N(6)-(T-butoxycarbonyl)-L-lysin-4-acetamidoanilide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 512.263484889 u |
| Formula | C27H36N4O6 |
| InChI | InChI=1S/C27H36N4O6/c1-19(32)29-21-13-15-22(16-14-21)30-24(33)23(12-8-9-17-28-25(34)37-27(2,3)4)31-26(35)36-18-20-10-6-5-7-11-20/h5-7,10-11,13-16,23H,8-9,12,17-18H2,1-4H3,(H,28,34)(H,29,32)(H,30,33)(H,31,35) |
| InChIKey | WFWXJXBBEICPIJ-UHFFFAOYSA-N |
| Molecular Weight | 512.607 g/mol |
| SMILES | C(NC1=CC=C(NC(=O)C)C=C1)(C(NC(=O)OCC1=CC=CC=C1)CCCCNC(OC(C)(C)C)=O)=O |