| SpectraBase Compound ID | CLve7wodLQF |
|---|---|
| InChI | InChI=1S/C21H31N3O6/c1-13(2)17(19(26)24-18(14(3)4)20(27)29-5)23-16(25)11-22-21(28)30-12-15-9-7-6-8-10-15/h6-10,13-14,17-18H,11-12H2,1-5H3,(H,22,28)(H,23,25)(H,24,26)/t17-,18-/m0/s1 |
| InChIKey | RULXUGBABWMNEX-ROUUACIJSA-N |
| Mol Weight | 421.49 g/mol |
| Molecular Formula | C21H31N3O6 |
| Exact Mass | 421.221286 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 49RtWWDXWSN |
|---|---|
| Name | Methyl-N-(benzyloxycarbonyl)-glycylvalylvaline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 421.221285724 u |
| Formula | C21H31N3O6 |
| InChI | InChI=1S/C21H31N3O6/c1-13(2)17(19(26)24-18(14(3)4)20(27)29-5)23-16(25)11-22-21(28)30-12-15-9-7-6-8-10-15/h6-10,13-14,17-18H,11-12H2,1-5H3,(H,22,28)(H,23,25)(H,24,26)/t17-,18-/m0/s1 |
| InChIKey | RULXUGBABWMNEX-ROUUACIJSA-N |
| Molecular Weight | 421.494 g/mol |
| SMILES | C(N[C@](C(=O)OC)(C(C)C)[H])([C@@](NC(=O)CNC(=O)OCC1=CC=CC=C1)(C(C)C)[H])=O |