| SpectraBase Compound ID | 32g3eI1WhuX |
|---|---|
| InChI | InChI=1S/C32H34N4O4/c1-32(35-29(37)23-8-4-3-5-9-23)18-16-28(36(31(32)39)21-22-12-14-25(40-2)15-13-22)30(38)33-19-17-24-20-34-27-11-7-6-10-26(24)27/h3-15,20,28,34H,16-19,21H2,1-2H3,(H,33,38)(H,35,37)/t28-,32-/m0/s1 |
| InChIKey | FDMKKCRZINGZAX-IUDBTDONSA-N |
| Mol Weight | 538.6 g/mol |
| Molecular Formula | C32H34N4O4 |
| Exact Mass | 538.258006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hh7kARoZmaw |
|---|---|
| Name | (2S*,5S*)-5-Benzoylamino-1-(4-methoxybenzyl)-5-methyl-6-oxopiperidine-2-carboxylic acid {2-(1H-indol-3-ylethyl}amide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 538.258005587 u |
| Formula | C32H34N4O4 |
| InChI | InChI=1S/C32H34N4O4/c1-32(35-29(37)23-8-4-3-5-9-23)18-16-28(36(31(32)39)21-22-12-14-25(40-2)15-13-22)30(38)33-19-17-24-20-34-27-11-7-6-10-26(24)27/h3-15,20,28,34H,16-19,21H2,1-2H3,(H,33,38)(H,35,37)/t28-,32-/m0/s1 |
| InChIKey | FDMKKCRZINGZAX-IUDBTDONSA-N |
| Molecular Weight | 538.648 g/mol |
| SMILES | C1(N([C@@](CC[C@@]1(NC(=O)C1=CC=CC=C1)C)(C(=O)NCCC1=CNC2=C1C=CC=C2)[H])CC1=CC=C(C=C1)OC)=O |