![3-[N-(Benzyloxycarbonyl)-(S)-phenylalanylamino]-5-methylhexan-2-ol](/api/spectrum/FJZC1qz74Kg/structure.png?h=300&w=458 "3-[N-(Benzyloxycarbonyl)-(S)-phenylalanylamino]-5-methylhexan-2-ol")
| SpectraBase Compound ID | C2SHL9i4PKK |
|---|---|
| InChI | InChI=1S/C24H32N2O4/c1-17(2)14-21(18(3)27)25-23(28)22(15-19-10-6-4-7-11-19)26-24(29)30-16-20-12-8-5-9-13-20/h4-13,17-18,21-22,27H,14-16H2,1-3H3,(H,25,28)(H,26,29)/t18?,21?,22-/m0/s1 |
| InChIKey | OMXANMIVEXPWOE-UDJZJCJKSA-N |
| Mol Weight | 412.5 g/mol |
| Molecular Formula | C24H32N2O4 |
| Exact Mass | 412.236208 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FJZC1qz74Kg |
|---|---|
| Name | 3-[N-(Benzyloxycarbonyl)-(S)-phenylalanylamino]-5-methylhexan-2-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.236207514 u |
| Formula | C24H32N2O4 |
| InChI | InChI=1S/C24H32N2O4/c1-17(2)14-21(18(3)27)25-23(28)22(15-19-10-6-4-7-11-19)26-24(29)30-16-20-12-8-5-9-13-20/h4-13,17-18,21-22,27H,14-16H2,1-3H3,(H,25,28)(H,26,29)/t18?,21?,22-/m0/s1 |
| InChIKey | OMXANMIVEXPWOE-UDJZJCJKSA-N |
| Molecular Weight | 412.530 g/mol |
| SMILES | C(NC(CC(C)C)C(O)C)([C@@](NC(=O)OCC1=CC=CC=C1)(CC=1C=CC=CC1)[H])=O |