| SpectraBase Spectrum ID |
7nZEeowKFux |
| Name |
L-(-)-1-(N-carboxy-3-phenyl-L-alanyl)proline, N-benzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.168521876 u |
| Formula |
C22H24N2O5 |
| InChI |
InChI=1S/C22H24N2O5/c25-20(24-13-7-12-19(24)21(26)27)18(14-16-8-3-1-4-9-16)23-22(28)29-15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H,23,28)(H,26,27)/t18-,19-/m0/s1 |
| InChIKey |
SLQMUASKUOLVIO-OALUTQOASA-N |
| Molecular Weight |
396.443 g/mol |
| SMILES |
N(C(OCC=1C=CC=CC1)=O)[C@](C(N1CCC[C@]1(C(O)=O)[H])=O)(CC=1C=CC=CC1)[H] |
| Spectrum/Structure Validation Score (Raman) |
0.984098 |
