![Leucine, N[N-[N-[N-[N[N-[N-(N-carboxy-l-alanyl)-l-valyl]glycyl]leucyl]-l-alanyl]-l-valyl]glycyl]-, N-benzyl methyl ester, l-](/api/spectrum/DRyjPIh58Dn/structure.png?h=300&w=458 "Leucine, N[N-[N-[N-[N[N-[N-(N-carboxy-l-alanyl)-l-valyl]glycyl]leucyl]-l-alanyl]-l-valyl]glycyl]-, N-benzyl methyl ester, l-")
| SpectraBase Compound ID | Bc0zZcSa1yO |
|---|---|
| InChI | InChI=1S/C41H66N8O11/c1-22(2)17-29(37(54)44-26(9)35(52)48-33(24(5)6)38(55)43-20-32(51)47-30(18-23(3)4)40(57)59-11)46-31(50)19-42-39(56)34(25(7)8)49-36(53)27(10)45-41(58)60-21-28-15-13-12-14-16-28/h12-16,22-27,29-30,33-34H,17-21H2,1-11H3,(H,42,56)(H,43,55)(H,44,54)(H,45,58)(H,46,50)(H,47,51)(H,48,52)(H,49,53)/t26-,27-,29-,30-,33-,34-/m0/s1 |
| InChIKey | LNWZNQCBOZMJRH-SFJATOQYSA-N |
| Mol Weight | 847.0 g/mol |
| Molecular Formula | C41H66N8O11 |
| Exact Mass | 846.485105 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DRyjPIh58Dn |
|---|---|
| Name | Leucine, N[N-[N-[N-[N[N-[N-(N-carboxy-L-alanyl)-L-valyl]glycyl]leucyl]-L-alanyl]-L-valyl]glycyl]-, N-benzyl methyl ester, L- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 846.485104966 u |
| Formula | C41H66N8O11 |
| InChI | InChI=1S/C41H66N8O11/c1-22(2)17-29(37(54)44-26(9)35(52)48-33(24(5)6)38(55)43-20-32(51)47-30(18-23(3)4)40(57)59-11)46-31(50)19-42-39(56)34(25(7)8)49-36(53)27(10)45-41(58)60-21-28-15-13-12-14-16-28/h12-16,22-27,29-30,33-34H,17-21H2,1-11H3,(H,42,56)(H,43,55)(H,44,54)(H,45,58)(H,46,50)(H,47,51)(H,48,52)(H,49,53)/t26-,27-,29-,30-,33-,34-/m0/s1 |
| InChIKey | LNWZNQCBOZMJRH-SFJATOQYSA-N |
| Molecular Weight | 847.024 g/mol |
| SMILES | C(N[C@](C(NCC(N[C@](C(=O)OC)(CC(C)C)[H])=O)=O)(C(C)C)[H])([C@@](NC([C@@](NC(=O)CNC([C@@](NC([C@@](NC(=O)OCC1=CC=CC=C1)(C)[H])=O)(C(C)C)[H])=O)(CC(C)C)[H])=O)(C)[H])=O |