![3-[N-(Benzyloxycarbonyl)-(S)-phenylalanylamino]butan-2-ol](/api/spectrum/IxixdE35cAM/structure.png?h=300&w=458 "3-[N-(Benzyloxycarbonyl)-(S)-phenylalanylamino]butan-2-ol")
| SpectraBase Compound ID | 2kom2Z7Dbmu |
|---|---|
| InChI | InChI=1S/C21H26N2O4/c1-15(16(2)24)22-20(25)19(13-17-9-5-3-6-10-17)23-21(26)27-14-18-11-7-4-8-12-18/h3-12,15-16,19,24H,13-14H2,1-2H3,(H,22,25)(H,23,26)/t15?,16?,19-/m0/s1 |
| InChIKey | WLINEIHVXMDQJW-RJYAGPCLSA-N |
| Mol Weight | 370.45 g/mol |
| Molecular Formula | C21H26N2O4 |
| Exact Mass | 370.189257 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IxixdE35cAM |
|---|---|
| Name | 3-[N-(Benzyloxycarbonyl)-(S)-phenylalanylamino]butan-2-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.189257321 u |
| Formula | C21H26N2O4 |
| InChI | InChI=1S/C21H26N2O4/c1-15(16(2)24)22-20(25)19(13-17-9-5-3-6-10-17)23-21(26)27-14-18-11-7-4-8-12-18/h3-12,15-16,19,24H,13-14H2,1-2H3,(H,22,25)(H,23,26)/t15?,16?,19-/m0/s1 |
| InChIKey | WLINEIHVXMDQJW-RJYAGPCLSA-N |
| Molecular Weight | 370.449 g/mol |
| SMILES | C(NC(C(O)C)C)([C@@](NC(=O)OCC1=CC=CC=C1)(CC=1C=CC=CC1)[H])=O |