| SpectraBase Compound ID | 1zJOjYARsDJ |
|---|---|
| InChI | InChI=1S/C23H27N3O3S/c1-16(17-8-3-2-4-9-17)24-21(27)18-10-5-13-25(18)22(28)19-11-6-14-26(19)23(29)20-12-7-15-30-20/h2-4,7-9,12,15-16,18-19H,5-6,10-11,13-14H2,1H3,(H,24,27)/t16-,18-,19-/m0/s1 |
| InChIKey | OAWFIFWGIIGRLS-WDSOQIARSA-N |
| Mol Weight | 425.55 g/mol |
| Molecular Formula | C23H27N3O3S |
| Exact Mass | 425.177313 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FuPkcqgzEp |
|---|---|
| Name | (S)-N-((S)-1-Phenylethyl)-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 | 425.177312912 u |
| Formula | C23H27N3O3S |
| InChI | InChI=1S/C23H27N3O3S/c1-16(17-8-3-2-4-9-17)24-21(27)18-10-5-13-25(18)22(28)19-11-6-14-26(19)23(29)20-12-7-15-30-20/h2-4,7-9,12,15-16,18-19H,5-6,10-11,13-14H2,1H3,(H,24,27)/t16-,18-,19-/m0/s1 |
| InChIKey | OAWFIFWGIIGRLS-WDSOQIARSA-N |
| Molecular Weight | 425.547 g/mol |
| SMILES | [C@]1(N(CCC1)C([C@]1(N(CCC1)C(=O)C1=CC=CS1)[H])=O)(C(=O)N[C@@](C)(C1=CC=CC=C1)[H])[H] |