![(4R)-N-[2-(N-Boc-indol-3-yl)ethyl]-4-acetoxymethyl-5-hydroxypentamide](/api/spectrum/Gg5L8B2u0WM/structure.png?h=300&w=458 "(4R)-N-[2-(N-Boc-indol-3-yl)ethyl]-4-acetoxymethyl-5-hydroxypentamide")
| SpectraBase Compound ID | 1XfUfwGCkwg |
|---|---|
| InChI | InChI=1S/C23H32N2O6/c1-16(27)30-15-17(14-26)9-10-21(28)24-12-11-18-13-25(22(29)31-23(2,3)4)20-8-6-5-7-19(18)20/h5-8,13,17,26H,9-12,14-15H2,1-4H3,(H,24,28)/t17-/m1/s1 |
| InChIKey | LLAWLWQKJGRJOZ-QGZVFWFLSA-N |
| Mol Weight | 432.5 g/mol |
| Molecular Formula | C23H32N2O6 |
| Exact Mass | 432.226037 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gg5L8B2u0WM |
|---|---|
| Name | (4R)-N-[2-(N-boc-Indol-3-yl)ethyl]-4-acetoxymethyl-5-hydroxypentamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 432.226036752 u |
| Formula | C23H32N2O6 |
| InChI | InChI=1S/C23H32N2O6/c1-16(27)30-15-17(14-26)9-10-21(28)24-12-11-18-13-25(22(29)31-23(2,3)4)20-8-6-5-7-19(18)20/h5-8,13,17,26H,9-12,14-15H2,1-4H3,(H,24,28)/t17-/m1/s1 |
| InChIKey | LLAWLWQKJGRJOZ-QGZVFWFLSA-N |
| Molecular Weight | 432.517 g/mol |
| SMILES | C(N1C=C(CCNC(=O)CC[C@@](COC(=O)C)(CO)[H])C=2C1=CC=CC2)(OC(C)(C)C)=O |