| SpectraBase Compound ID | GaudSVgU9RK |
|---|---|
| InChI | InChI=1S/C19H28N2O5/c1-5-13(4)16(17(22)20-15(12(2)3)18(23)24)21-19(25)26-11-14-9-7-6-8-10-14/h6-10,12-13,15-16H,5,11H2,1-4H3,(H,20,22)(H,21,25)(H,23,24)/t13-,15-,16-/m0/s1 |
| InChIKey | XISNUVNLGJKNIK-BPUTZDHNSA-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 | FbufOjxSzyT |
|---|---|
| Name | L-(-)-N-(N-carboxy-L-isoleucyl)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/c1-5-13(4)16(17(22)20-15(12(2)3)18(23)24)21-19(25)26-11-14-9-7-6-8-10-14/h6-10,12-13,15-16H,5,11H2,1-4H3,(H,20,22)(H,21,25)(H,23,24)/t13-,15-,16-/m0/s1 |
| InChIKey | XISNUVNLGJKNIK-BPUTZDHNSA-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)([C@](CC)(C)[H])[H] |