| SpectraBase Compound ID | A2CmpeRllC8 |
|---|---|
| InChI | InChI=1S/C27H33N3O5/c1-34-21-10-5-8-19(16-21)18-28-25(31)23-13-7-15-29(23)27(33)24-12-3-4-14-30(24)26(32)20-9-6-11-22(17-20)35-2/h5-6,8-11,16-17,23-24H,3-4,7,12-15,18H2,1-2H3,(H,28,31)/t23-,24+/m0/s1 |
| InChIKey | BVUDYEFPJYVJML-BJKOFHAPSA-N |
| Mol Weight | 479.6 g/mol |
| Molecular Formula | C27H33N3O5 |
| Exact Mass | 479.242021 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DWV8pDi85uj |
|---|---|
| Name | (S)-1-((R)-1-(3-Methoxybenzoyl)piperidine-2-carbonyl)-N-(3-methoxybenzyl)pyrrolidine-2-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 479.242021170 u |
| Formula | C27H33N3O5 |
| InChI | InChI=1S/C27H33N3O5/c1-34-21-10-5-8-19(16-21)18-28-25(31)23-13-7-15-29(23)27(33)24-12-3-4-14-30(24)26(32)20-9-6-11-22(17-20)35-2/h5-6,8-11,16-17,23-24H,3-4,7,12-15,18H2,1-2H3,(H,28,31)/t23-,24+/m0/s1 |
| InChIKey | BVUDYEFPJYVJML-BJKOFHAPSA-N |
| Molecular Weight | 479.577 g/mol |
| SMILES | [C@]1(N(CCC1)C(=O)[C@@]1(N(CCCC1)C(C1=CC(=CC=C1)OC)=O)[H])(C(=O)NCC1=CC(=CC=C1)OC)[H] |