| SpectraBase Compound ID | EQxJEVcXryY |
|---|---|
| InChI | InChI=1S/C21H24N4O3S/c26-19(23-14-15-7-9-22-10-8-15)16-4-1-11-24(16)20(27)17-5-2-12-25(17)21(28)18-6-3-13-29-18/h3,6-10,13,16-17H,1-2,4-5,11-12,14H2,(H,23,26)/t16-,17-/m0/s1 |
| InChIKey | PKRRYXSUEFTFNH-IRXDYDNUSA-N |
| Mol Weight | 412.51 g/mol |
| Molecular Formula | C21H24N4O3S |
| Exact Mass | 412.156912 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 157nWRKkZDb |
|---|---|
| Name | (S)-N-(Pyridin-4-ylmethyl)-1-((thiophene-2-carbonyl)-L-prolyl)pyrrolidine-2-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.156911820 u |
| Formula | C21H24N4O3S |
| InChI | InChI=1S/C21H24N4O3S/c26-19(23-14-15-7-9-22-10-8-15)16-4-1-11-24(16)20(27)17-5-2-12-25(17)21(28)18-6-3-13-29-18/h3,6-10,13,16-17H,1-2,4-5,11-12,14H2,(H,23,26)/t16-,17-/m0/s1 |
| InChIKey | PKRRYXSUEFTFNH-IRXDYDNUSA-N |
| Molecular Weight | 412.508 g/mol |
| SMILES | [C@]1(N(CCC1)C([C@]1(N(CCC1)C(=O)C1=CC=CS1)[H])=O)(C(=O)NCC=1C=CN=CC1)[H] |