| SpectraBase Compound ID | Bdo7E7BUe39 |
|---|---|
| InChI | InChI=1S/C23H34N4O7/c1-14(19(29)26-15(2)21(31)33-13-16-9-7-6-8-10-16)25-20(30)17(24)11-12-18(28)27-22(32)34-23(3,4)5/h6-10,14-15,17H,11-13,24H2,1-5H3,(H,25,30)(H,26,29)(H,27,28,32) |
| InChIKey | GBRUNDLXYZPSCK-UHFFFAOYSA-N |
| Mol Weight | 478.5 g/mol |
| Molecular Formula | C23H34N4O7 |
| Exact Mass | 478.242749 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2iNaqPRJEwA |
|---|---|
| Name | boc-gln-ala-ala-Och2Ph |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 478.242749444 u |
| Formula | C23H34N4O7 |
| InChI | InChI=1S/C23H34N4O7/c1-14(19(29)26-15(2)21(31)33-13-16-9-7-6-8-10-16)25-20(30)17(24)11-12-18(28)27-22(32)34-23(3,4)5/h6-10,14-15,17H,11-13,24H2,1-5H3,(H,25,30)(H,26,29)(H,27,28,32) |
| InChIKey | GBRUNDLXYZPSCK-UHFFFAOYSA-N |
| Molecular Weight | 478.546 g/mol |
| SMILES | C(NC(=O)CCC(C(NC(C(NC(C(OCC1=CC=CC=C1)=O)C)=O)C)=O)N)(OC(C)(C)C)=O |