| SpectraBase Spectrum ID |
4wsj2gXYpga |
| Name |
(S)-N-Benzyl-1-((3-methoxybenzoyl)-L-prolyl)-N-methylpyrrolidine-2-carboxamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
449.231456486 u |
| Formula |
C26H31N3O4 |
| InChI |
InChI=1S/C26H31N3O4/c1-27(18-19-9-4-3-5-10-19)25(31)22-13-7-16-29(22)26(32)23-14-8-15-28(23)24(30)20-11-6-12-21(17-20)33-2/h3-6,9-12,17,22-23H,7-8,13-16,18H2,1-2H3/t22-,23-/m0/s1 |
| InChIKey |
NTRDUQWNBZCWMO-GOTSBHOMSA-N |
| Molecular Weight |
449.551 g/mol |
| SMILES |
[C@]1(N(CCC1)C([C@]1(N(CCC1)C(C1=CC(=CC=C1)OC)=O)[H])=O)(C(=O)N(C)CC1=CC=CC=C1)[H] |
