| SpectraBase Compound ID | 5IbqE30o0qS |
|---|---|
| InChI | InChI=1S/C26H41N3O6/c1-7-18(6)22(24(31)27-21(25(32)33)14-17(4)5)29-23(30)20(13-16(2)3)28-26(34)35-15-19-11-9-8-10-12-19/h8-12,16-18,20-22H,7,13-15H2,1-6H3,(H,27,31)(H,28,34)(H,29,30)(H,32,33)/t18-,20-,21-,22-/m0/s1 |
| InChIKey | XNVIIBQBAXGOQK-QESAQDPVSA-N |
| Mol Weight | 491.6 g/mol |
| Molecular Formula | C26H41N3O6 |
| Exact Mass | 491.299536 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CTZU6ZUzwhK |
|---|---|
| Name | N-Carbobenzoxyleucyl-isoleucyl-leucine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 491.299536046 u |
| Formula | C26H41N3O6 |
| InChI | InChI=1S/C26H41N3O6/c1-7-18(6)22(24(31)27-21(25(32)33)14-17(4)5)29-23(30)20(13-16(2)3)28-26(34)35-15-19-11-9-8-10-12-19/h8-12,16-18,20-22H,7,13-15H2,1-6H3,(H,27,31)(H,28,34)(H,29,30)(H,32,33)/t18-,20-,21-,22-/m0/s1 |
| InChIKey | XNVIIBQBAXGOQK-QESAQDPVSA-N |
| Molecular Weight | 491.629 g/mol |
| SMILES | C(N[C@](C(=O)O)(CC(C)C)[H])([C@@](NC([C@@](NC(=O)OCC=1C=CC=CC1)(CC(C)C)[H])=O)([C@](CC)(C)[H])[H])=O |