![L-N-[N-(N-Carboxy-L-leucyl)glycyl]leucine, dibenzyl ester](/api/spectrum/B4XBkFe8zcE/structure.png?h=300&w=458 "L-N-[N-(N-Carboxy-L-leucyl)glycyl]leucine, dibenzyl ester")
| SpectraBase Compound ID | 34yCYsvXPji |
|---|---|
| InChI | InChI=1S/C29H39N3O6/c1-20(2)15-24(32-29(36)38-19-23-13-9-6-10-14-23)27(34)30-17-26(33)31-25(16-21(3)4)28(35)37-18-22-11-7-5-8-12-22/h5-14,20-21,24-25H,15-19H2,1-4H3,(H,30,34)(H,31,33)(H,32,36)/t24-,25-/m0/s1 |
| InChIKey | KECPXLPOXOPMJF-DQEYMECFSA-N |
| Mol Weight | 525.6 g/mol |
| Molecular Formula | C29H39N3O6 |
| Exact Mass | 525.283886 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B4XBkFe8zcE |
|---|---|
| Name | L-N-[N-(N-Carboxy-L-leucyl)glycyl]leucine, dibenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 525.283885982 u |
| Formula | C29H39N3O6 |
| InChI | InChI=1S/C29H39N3O6/c1-20(2)15-24(32-29(36)38-19-23-13-9-6-10-14-23)27(34)30-17-26(33)31-25(16-21(3)4)28(35)37-18-22-11-7-5-8-12-22/h5-14,20-21,24-25H,15-19H2,1-4H3,(H,30,34)(H,31,33)(H,32,36)/t24-,25-/m0/s1 |
| InChIKey | KECPXLPOXOPMJF-DQEYMECFSA-N |
| Molecular Weight | 525.646 g/mol |
| SMILES | N(C([C@](CC(C)C)(NC(=O)OCC=1C=CC=CC1)[H])=O)CC(N[C@](C(=O)OCC=1C=CC=CC1)(CC(C)C)[H])=O |