| SpectraBase Compound ID | GdzWoOUC2cV |
|---|---|
| InChI | InChI=1S/C17H24N2O6/c1-11(2)14(15(21)18-13(9-20)16(22)24-3)19-17(23)25-10-12-7-5-4-6-8-12/h4-8,11,13-14,20H,9-10H2,1-3H3,(H,18,21)(H,19,23)/t13-,14-/m0/s1 |
| InChIKey | JQKNUQPFVCYECV-KBPBESRZSA-N |
| Mol Weight | 352.39 g/mol |
| Molecular Formula | C17H24N2O6 |
| Exact Mass | 352.163436 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5k57FYK7m8K |
|---|---|
| Name | Methyl-N-(benzyloxycarbonyl)-valylserine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.163436495 u |
| Formula | C17H24N2O6 |
| InChI | InChI=1S/C17H24N2O6/c1-11(2)14(15(21)18-13(9-20)16(22)24-3)19-17(23)25-10-12-7-5-4-6-8-12/h4-8,11,13-14,20H,9-10H2,1-3H3,(H,18,21)(H,19,23)/t13-,14-/m0/s1 |
| InChIKey | JQKNUQPFVCYECV-KBPBESRZSA-N |
| Molecular Weight | 352.387 g/mol |
| SMILES | C(N[C@](C(=O)OC)(CO)[H])([C@@](NC(=O)OCC=1C=CC=CC1)(C(C)C)[H])=O |