| SpectraBase Spectrum ID |
u67zsGB2yi |
| Name |
(S)-1-((2,6-Difluorobenzoyl)-L-prolyl)-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
442.181646972 u |
| Formula |
C23H24F2N4O3 |
| InChI |
InChI=1S/C23H24F2N4O3/c24-16-7-3-8-17(25)20(16)23(32)29-13-5-10-19(29)22(31)28-12-4-9-18(28)21(30)27-14-15-6-1-2-11-26-15/h1-3,6-8,11,18-19H,4-5,9-10,12-14H2,(H,27,30)/t18-,19-/m0/s1 |
| InChIKey |
MEDYBBDKPDHXTD-OALUTQOASA-N |
| Molecular Weight |
442.467 g/mol |
| SMILES |
[C@]1(N(CCC1)C([C@]1(N(CCC1)C(C1=C(C=CC=C1F)F)=O)[H])=O)(C(=O)NCC1=CC=CC=N1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914739 |
