| SpectraBase Compound ID | 3RSIpu2WzLe |
|---|---|
| InChI | InChI=1S/C24H29N3O4S/c1-31-18-8-4-7-17(15-18)16-25-22(28)19-10-5-13-26(19)23(29)20-9-2-3-12-27(20)24(30)21-11-6-14-32-21/h4,6-8,11,14-15,19-20H,2-3,5,9-10,12-13,16H2,1H3,(H,25,28)/t19-,20+/m0/s1 |
| InChIKey | OVRHXJCTCKTQJA-VQTJNVASSA-N |
| Mol Weight | 455.57 g/mol |
| Molecular Formula | C24H29N3O4S |
| Exact Mass | 455.187878 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GDDhhdE9dVZ |
|---|---|
| Name | (S)-N-(3-Methoxybenzyl)-1-((R)-1-(thiophene-2-carbonyl)piperidine-2-carbonyl)pyrrolidine-2-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 455.187877596 u |
| Formula | C24H29N3O4S |
| InChI | InChI=1S/C24H29N3O4S/c1-31-18-8-4-7-17(15-18)16-25-22(28)19-10-5-13-26(19)23(29)20-9-2-3-12-27(20)24(30)21-11-6-14-32-21/h4,6-8,11,14-15,19-20H,2-3,5,9-10,12-13,16H2,1H3,(H,25,28)/t19-,20+/m0/s1 |
| InChIKey | OVRHXJCTCKTQJA-VQTJNVASSA-N |
| Molecular Weight | 455.573 g/mol |
| SMILES | [C@]1(N(CCC1)C(=O)[C@@]1(N(CCCC1)C(=O)C1=CC=CS1)[H])(C(=O)NCC1=CC(=CC=C1)OC)[H] |