![(S)-N-Cyclohexyl-1-({1-[(2,2-dimethoxyethyl)amino]-1-oxo-3-phenylpropan-2-yl}amino)cyclohexane-1-carboxamide](/api/spectrum/JfJEpYKDWZ5/structure.png?h=300&w=458 "(S)-N-Cyclohexyl-1-({1-[(2,2-dimethoxyethyl)amino]-1-oxo-3-phenylpropan-2-yl}amino)cyclohexane-1-carboxamide")
| SpectraBase Compound ID | 6B9CJGjOKkc |
|---|---|
| InChI | InChI=1S/C26H41N3O4/c1-32-23(33-2)19-27-24(30)22(18-20-12-6-3-7-13-20)29-26(16-10-5-11-17-26)25(31)28-21-14-8-4-9-15-21/h3,6-7,12-13,21-23,29H,4-5,8-11,14-19H2,1-2H3,(H,27,30)(H,28,31)/t22-/m0/s1 |
| InChIKey | FXQVSJTZIZKQMC-QFIPXVFZSA-N |
| Mol Weight | 459.6 g/mol |
| Molecular Formula | C26H41N3O4 |
| Exact Mass | 459.309707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JfJEpYKDWZ5 |
|---|---|
| Name | (S)-N-Cyclohexyl-1-({1-[(2,2-dimethoxyethyl)amino]-1-oxo-3-phenylpropan-2-yl}amino)cyclohexane-1-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 459.309706808 u |
| Formula | C26H41N3O4 |
| InChI | InChI=1S/C26H41N3O4/c1-32-23(33-2)19-27-24(30)22(18-20-12-6-3-7-13-20)29-26(16-10-5-11-17-26)25(31)28-21-14-8-4-9-15-21/h3,6-7,12-13,21-23,29H,4-5,8-11,14-19H2,1-2H3,(H,27,30)(H,28,31)/t22-/m0/s1 |
| InChIKey | FXQVSJTZIZKQMC-QFIPXVFZSA-N |
| Molecular Weight | 459.631 g/mol |
| SMILES | C1(CCCCC1)(C(=O)NC1CCCCC1)N[C@](C(=O)NCC(OC)OC)(CC1=CC=CC=C1)[H] |