| SpectraBase Compound ID | BYYYYBOI0ha |
|---|---|
| InChI | InChI=1S/C23H34N4O5/c1-15(19(29)25-23(2,3)22(32)26(4)5)24-20(30)17-12-9-13-27(17)21(31)18(28)14-16-10-7-6-8-11-16/h6-8,10-11,15,17-18,28H,9,12-14H2,1-5H3,(H,24,30)(H,25,29) |
| InChIKey | FEUABPKZXSQQDY-UHFFFAOYSA-N |
| Mol Weight | 446.5 g/mol |
| Molecular Formula | C23H34N4O5 |
| Exact Mass | 446.25292 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Bqrp33WVRyP |
|---|---|
| Name | Dimethylamide of (S)-3-phenyllactoyl-(R)-prolyl-(S)-alanyl-aminoisobutyric acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 446.252920206 u |
| Formula | C23H34N4O5 |
| InChI | InChI=1S/C23H34N4O5/c1-15(19(29)25-23(2,3)22(32)26(4)5)24-20(30)17-12-9-13-27(17)21(31)18(28)14-16-10-7-6-8-11-16/h6-8,10-11,15,17-18,28H,9,12-14H2,1-5H3,(H,24,30)(H,25,29) |
| InChIKey | FEUABPKZXSQQDY-UHFFFAOYSA-N |
| Molecular Weight | 446.548 g/mol |
| SMILES | C(N1C(C(NC(C(NC(C(N(C)C)=O)(C)C)=O)C)=O)CCC1)(C(CC=1C=CC=CC1)O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.912972 |