| SpectraBase Spectrum ID |
BeaPekQmc5t |
| Name |
(S)-N-Benzyl-N-methyl-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/c1-24(16-17-8-3-2-4-9-17)21(27)18-10-5-13-25(18)22(28)19-11-6-14-26(19)23(29)20-12-7-15-30-20/h2-4,7-9,12,15,18-19H,5-6,10-11,13-14,16H2,1H3/t18-,19-/m0/s1 |
| InChIKey |
CSYJHWZOABNLCH-OALUTQOASA-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)CC1=CC=CC=C1)[H] |
