| SpectraBase Compound ID | FIlKO6aaqYN |
|---|---|
| InChI | InChI=1S/C19H28N2O5/c1-12(2)10-15(17(22)21-16(13(3)4)18(23)24)20-19(25)26-11-14-8-6-5-7-9-14/h5-9,12-13,15-16H,10-11H2,1-4H3,(H,20,25)(H,21,22)(H,23,24)/t15-,16-/m0/s1 |
| InChIKey | MUJSLBXYEJRINU-HOTGVXAUSA-N |
| Mol Weight | 364.44 g/mol |
| Molecular Formula | C19H28N2O5 |
| Exact Mass | 364.199822 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5tjhnmdwKvt |
|---|---|
| Name | L-N-(N-Carboxyleucyl)valine, N-benzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.199822005 u |
| Formula | C19H28N2O5 |
| InChI | InChI=1S/C19H28N2O5/c1-12(2)10-15(17(22)21-16(13(3)4)18(23)24)20-19(25)26-11-14-8-6-5-7-9-14/h5-9,12-13,15-16H,10-11H2,1-4H3,(H,20,25)(H,21,22)(H,23,24)/t15-,16-/m0/s1 |
| InChIKey | MUJSLBXYEJRINU-HOTGVXAUSA-N |
| Molecular Weight | 364.442 g/mol |
| SMILES | N(C(OCC1=CC=CC=C1)=O)[C@](C(N[C@](C(O)=O)(C(C)C)[H])=O)(CC(C)C)[H] |