![N-[N-(N^2,N^6-DICARBOXY-L-LYSYL)GLYCYL]GLYCINE, N^2,N^6-DIBENZYL ESTER](/api/spectrum/o5WfWNOhoA/structure.png?h=300&w=458 "N-[N-(N^2,N^6-DICARBOXY-L-LYSYL)GLYCYL]GLYCINE, N^2,N^6-DIBENZYL ESTER")
| SpectraBase Compound ID | aochvXhkJ8 |
|---|---|
| InChI | InChI=1S/C26H32N4O8/c31-22(28-16-23(32)33)15-29-24(34)21(30-26(36)38-18-20-11-5-2-6-12-20)13-7-8-14-27-25(35)37-17-19-9-3-1-4-10-19/h1-6,9-12,21H,7-8,13-18H2,(H,27,35)(H,28,31)(H,29,34)(H,30,36)(H,32,33) |
| InChIKey | FIHSHUVRQWJTPB-UHFFFAOYSA-N |
| Mol Weight | 528.6 g/mol |
| Molecular Formula | C26H32N4O8 |
| Exact Mass | 528.222014 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | o5WfWNOhoA |
|---|---|
| Name | N-[N-(N2,N6-Dicarboxy-L-lysyl)glycyl]glycine, N^2,N^6-dibenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 528.222013998 u |
| Formula | C26H32N4O8 |
| InChI | InChI=1S/C26H32N4O8/c31-22(28-16-23(32)33)15-29-24(34)21(30-26(36)38-18-20-11-5-2-6-12-20)13-7-8-14-27-25(35)37-17-19-9-3-1-4-10-19/h1-6,9-12,21H,7-8,13-18H2,(H,27,35)(H,28,31)(H,29,34)(H,30,36)(H,32,33) |
| InChIKey | FIHSHUVRQWJTPB-UHFFFAOYSA-N |
| Molecular Weight | 528.562 g/mol |
| SMILES | N(CCCCC(C(NCC(NCC(O)=O)=O)=O)NC(OCC=1C=CC=CC1)=O)C(OCC=1C=CC=CC1)=O |