| SpectraBase Compound ID | IAgyUuaZKsL |
|---|---|
| InChI | InChI=1S/C26H31N3O5/c1-33-20-9-3-7-18(15-20)17-27-24(30)22-11-5-13-28(22)26(32)23-12-6-14-29(23)25(31)19-8-4-10-21(16-19)34-2/h3-4,7-10,15-16,22-23H,5-6,11-14,17H2,1-2H3,(H,27,30)/t22-,23-/m0/s1 |
| InChIKey | DUOBRBYJPPSUCF-GOTSBHOMSA-N |
| Mol Weight | 465.55 g/mol |
| Molecular Formula | C26H31N3O5 |
| Exact Mass | 465.226371 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FXYBXgtTXpZ |
|---|---|
| Name | (S)-1-((3-Methoxybenzoyl)-L-prolyl)-N-(3-methoxybenzyl)pyrrolidine-2-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 465.226371105 u |
| Formula | C26H31N3O5 |
| InChI | InChI=1S/C26H31N3O5/c1-33-20-9-3-7-18(15-20)17-27-24(30)22-11-5-13-28(22)26(32)23-12-6-14-29(23)25(31)19-8-4-10-21(16-19)34-2/h3-4,7-10,15-16,22-23H,5-6,11-14,17H2,1-2H3,(H,27,30)/t22-,23-/m0/s1 |
| InChIKey | DUOBRBYJPPSUCF-GOTSBHOMSA-N |
| Molecular Weight | 465.550 g/mol |
| SMILES | [C@]1(N(CCC1)C([C@]1(N(CCC1)C(C1=CC(=CC=C1)OC)=O)[H])=O)(C(=O)NCC1=CC(=CC=C1)OC)[H] |