![2-[N-(Benzyloxycarbonyl-(S)-phenylalanyl)amino]-4-methylpentan-1-ol](/api/spectrum/7O72vu59WgX/structure.png?h=300&w=458 "2-[N-(Benzyloxycarbonyl-(S)-phenylalanyl)amino]-4-methylpentan-1-ol")
| SpectraBase Compound ID | Fh5TWGSSWTK |
|---|---|
| InChI | InChI=1S/C23H30N2O4/c1-17(2)13-20(15-26)24-22(27)21(14-18-9-5-3-6-10-18)25-23(28)29-16-19-11-7-4-8-12-19/h3-12,17,20-21,26H,13-16H2,1-2H3,(H,24,27)(H,25,28)/t20?,21-/m0/s1 |
| InChIKey | FBFPKJRQSITIFS-LBAQZLPGSA-N |
| Mol Weight | 398.5 g/mol |
| Molecular Formula | C23H30N2O4 |
| Exact Mass | 398.220557 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7O72vu59WgX |
|---|---|
| Name | 2-[N-(Benzyloxycarbonyl-(S)-phenylalanyl)amino]-4-methylpentan-1-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.220557450 u |
| Formula | C23H30N2O4 |
| InChI | InChI=1S/C23H30N2O4/c1-17(2)13-20(15-26)24-22(27)21(14-18-9-5-3-6-10-18)25-23(28)29-16-19-11-7-4-8-12-19/h3-12,17,20-21,26H,13-16H2,1-2H3,(H,24,27)(H,25,28)/t20?,21-/m0/s1 |
| InChIKey | FBFPKJRQSITIFS-LBAQZLPGSA-N |
| Molecular Weight | 398.503 g/mol |
| SMILES | C(C(CC(C)C)NC([C@@](NC(=O)OCC=1C=CC=CC1)(CC=1C=CC=CC1)[H])=O)O |