| SpectraBase Compound ID | 8wH4NS86Xde |
|---|---|
| InChI | InChI=1S/C38H63N5O8/c1-11-26(10)32(43-35(46)30(19-24(6)7)42-38(50)51-21-27-15-13-12-14-16-27)36(47)40-29(18-23(4)5)33(44)39-28(17-22(2)3)34(45)41-31(37(48)49)20-25(8)9/h12-16,22-26,28-32H,11,17-21H2,1-10H3,(H,39,44)(H,40,47)(H,41,45)(H,42,50)(H,43,46)(H,48,49)/t26-,28-,29-,30-,31-,32-/m0/s1 |
| InChIKey | WJWXNOGRXOUMTQ-LQPYQXOBSA-N |
| Mol Weight | 717.9 g/mol |
| Molecular Formula | C38H63N5O8 |
| Exact Mass | 717.467664 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 18cnRMdQAfF |
|---|---|
| Name | N-Carbobenzoxyleucyl-isoleucyl-leucyl-leucyl-leucine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 717.467664001 u |
| Formula | C38H63N5O8 |
| InChI | InChI=1S/C38H63N5O8/c1-11-26(10)32(43-35(46)30(19-24(6)7)42-38(50)51-21-27-15-13-12-14-16-27)36(47)40-29(18-23(4)5)33(44)39-28(17-22(2)3)34(45)41-31(37(48)49)20-25(8)9/h12-16,22-26,28-32H,11,17-21H2,1-10H3,(H,39,44)(H,40,47)(H,41,45)(H,42,50)(H,43,46)(H,48,49)/t26-,28-,29-,30-,31-,32-/m0/s1 |
| InChIKey | WJWXNOGRXOUMTQ-LQPYQXOBSA-N |
| SMILES | C(N[C@](C(N[C@](C(N[C@](C(=O)O)(CC(C)C)[H])=O)(CC(C)C)[H])=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 |