![(R,R)-2-{4-[1-(Phenylmethoxycarbonyl)ethylamino]-1H-indol-3-yl}-1-(hydroxymethyl)ethylphenylacetamide](/api/spectrum/3wq1k9Dwws/structure.png?h=300&w=458 "(R,R)-2-{4-[1-(Phenylmethoxycarbonyl)ethylamino]-1H-indol-3-yl}-1-(hydroxymethyl)ethylphenylacetamide")
| SpectraBase Compound ID | 1wHMmYzqa6z |
|---|---|
| InChI | InChI=1S/C29H31N3O4/c1-20(29(35)36-19-22-11-6-3-7-12-22)31-26-14-8-13-25-28(26)23(17-30-25)16-24(18-33)32-27(34)15-21-9-4-2-5-10-21/h2-14,17,20,24,30-31,33H,15-16,18-19H2,1H3,(H,32,34)/t20-,24-/m1/s1 |
| InChIKey | UYXSEEYEFGBMJG-HYBUGGRVSA-N |
| Mol Weight | 485.58 g/mol |
| Molecular Formula | C29H31N3O4 |
| Exact Mass | 485.231456 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3wq1k9Dwws |
|---|---|
| Name | (R,R)-2-{4-[1-(Phenylmethoxycarbonyl)ethylamino]-1H-indol-3-yl}-1-(hydroxymethyl)ethylphenylacetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 485.231456486 u |
| Formula | C29H31N3O4 |
| InChI | InChI=1S/C29H31N3O4/c1-20(29(35)36-19-22-11-6-3-7-12-22)31-26-14-8-13-25-28(26)23(17-30-25)16-24(18-33)32-27(34)15-21-9-4-2-5-10-21/h2-14,17,20,24,30-31,33H,15-16,18-19H2,1H3,(H,32,34)/t20-,24-/m1/s1 |
| InChIKey | UYXSEEYEFGBMJG-HYBUGGRVSA-N |
| Molecular Weight | 485.584 g/mol |
| SMILES | C=1(C=2C(N[C@@](C(OCC=3C=CC=CC3)=O)(C)[H])=CC=CC2NC1)C[C@@](NC(=O)CC=1C=CC=CC1)(CO)[H] |