![2-[N-(Benzyloxycarbonyl-(S)-phenylalanyl)amino]-3-methylbutan-1-ol](/api/spectrum/Cajzah2cBco/structure.png?h=300&w=458 "2-[N-(Benzyloxycarbonyl-(S)-phenylalanyl)amino]-3-methylbutan-1-ol")
| SpectraBase Compound ID | IMOwkD7KznG |
|---|---|
| InChI | InChI=1S/C22H28N2O4/c1-16(2)20(14-25)23-21(26)19(13-17-9-5-3-6-10-17)24-22(27)28-15-18-11-7-4-8-12-18/h3-12,16,19-20,25H,13-15H2,1-2H3,(H,23,26)(H,24,27)/t19-,20?/m0/s1 |
| InChIKey | YXRYGXSNTLGNDU-XJDOXCRVSA-N |
| Mol Weight | 384.48 g/mol |
| Molecular Formula | C22H28N2O4 |
| Exact Mass | 384.204907 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cajzah2cBco |
|---|---|
| Name | 2-[N-(Benzyloxycarbonyl-(S)-phenylalanyl)amino]-3-methylbutan-1-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.204907386 u |
| Formula | C22H28N2O4 |
| InChI | InChI=1S/C22H28N2O4/c1-16(2)20(14-25)23-21(26)19(13-17-9-5-3-6-10-17)24-22(27)28-15-18-11-7-4-8-12-18/h3-12,16,19-20,25H,13-15H2,1-2H3,(H,23,26)(H,24,27)/t19-,20?/m0/s1 |
| InChIKey | YXRYGXSNTLGNDU-XJDOXCRVSA-N |
| Molecular Weight | 384.476 g/mol |
| SMILES | C(C(C(C)C)NC([C@@](NC(=O)OCC=1C=CC=CC1)(CC=1C=CC=CC1)[H])=O)O |