| SpectraBase Compound ID | AaEdDWcGjlg |
|---|---|
| InChI | InChI=1S/C30H30N2O5/c1-20(28(33)32-17-9-16-27(32)29(34)36-18-21-10-3-2-4-11-21)31-30(35)37-19-26-24-14-7-5-12-22(24)23-13-6-8-15-25(23)26/h2-8,10-15,20,26-27H,9,16-19H2,1H3,(H,31,35)/t20-,27-/m0/s1 |
| InChIKey | DZHDRYVVEQNMPB-DCFHFQCYSA-N |
| Mol Weight | 498.58 g/mol |
| Molecular Formula | C30H30N2O5 |
| Exact Mass | 498.215472 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BKwRyXWJTZE |
|---|---|
| Name | Fmoc-ala-pro-obn |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 498.215472069 u |
| Formula | C30H30N2O5 |
| InChI | InChI=1S/C30H30N2O5/c1-20(28(33)32-17-9-16-27(32)29(34)36-18-21-10-3-2-4-11-21)31-30(35)37-19-26-24-14-7-5-12-22(24)23-13-6-8-15-25(23)26/h2-8,10-15,20,26-27H,9,16-19H2,1H3,(H,31,35)/t20-,27-/m0/s1 |
| InChIKey | DZHDRYVVEQNMPB-DCFHFQCYSA-N |
| Molecular Weight | 498.579 g/mol |
| SMILES | C(N1[C@](C(OCC2=CC=CC=C2)=O)(CCC1)[H])([C@@](NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)(C)[H])=O |