| SpectraBase Compound ID | 78jSZf9NNaF |
|---|---|
| InChI | InChI=1S/C22H26N4O8/c1-3-34-22(32)26-12-15(23-13-26)11-17(21(30)31)25-20(29)16(9-10-18(27)33-2)24-19(28)14-7-5-4-6-8-14/h4-8,12-13,16-17H,3,9-11H2,1-2H3,(H,24,28)(H,25,29)(H,30,31) |
| InChIKey | ULXFYMDQSPCXTA-UHFFFAOYSA-N |
| Mol Weight | 474.47 g/mol |
| Molecular Formula | C22H26N4O8 |
| Exact Mass | 474.175064 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4uln3mPKu37 |
|---|---|
| Name | L-Histidine, N-(N-benzoyl-L-.alpha.-glutamyl)-1-(ethoxycarbonyl)-, 5-methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 474.175063805 u |
| Formula | C22H26N4O8 |
| InChI | InChI=1S/C22H26N4O8/c1-3-34-22(32)26-12-15(23-13-26)11-17(21(30)31)25-20(29)16(9-10-18(27)33-2)24-19(28)14-7-5-4-6-8-14/h4-8,12-13,16-17H,3,9-11H2,1-2H3,(H,24,28)(H,25,29)(H,30,31) |
| InChIKey | ULXFYMDQSPCXTA-UHFFFAOYSA-N |
| Molecular Weight | 474.470 g/mol |
| SMILES | C(N1C=NC(=C1)CC(NC(C(NC(=O)C1=CC=CC=C1)CCC(=O)OC)=O)C(=O)O)(=O)OCC |