![(S)-1-({1-[(2-Hydroxyethyl)amino]-1-oxo-3-phenylpropan-2-yl}amino)-N-(2-morpholinoethyl)cyclohexane-1-carboxamide](/api/spectrum/4tMsB25gYbf/structure.png?h=300&w=458 "(S)-1-({1-[(2-Hydroxyethyl)amino]-1-oxo-3-phenylpropan-2-yl}amino)-N-(2-morpholinoethyl)cyclohexane-1-carboxamide")
| SpectraBase Compound ID | E269IuPSTXs |
|---|---|
| InChI | InChI=1S/C24H38N4O4/c29-16-12-25-22(30)21(19-20-7-3-1-4-8-20)27-24(9-5-2-6-10-24)23(31)26-11-13-28-14-17-32-18-15-28/h1,3-4,7-8,21,27,29H,2,5-6,9-19H2,(H,25,30)(H,26,31)/t21-/m0/s1 |
| InChIKey | LWFACIJXAFIJOL-NRFANRHFSA-N |
| Mol Weight | 446.6 g/mol |
| Molecular Formula | C24H38N4O4 |
| Exact Mass | 446.289306 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4tMsB25gYbf |
|---|---|
| Name | (S)-1-({1-[(2-Hydroxyethyl)amino]-1-oxo-3-phenylpropan-2-yl}amino)-N-(2-morpholinoethyl)cyclohexane-1-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 446.289305716 u |
| Formula | C24H38N4O4 |
| InChI | InChI=1S/C24H38N4O4/c29-16-12-25-22(30)21(19-20-7-3-1-4-8-20)27-24(9-5-2-6-10-24)23(31)26-11-13-28-14-17-32-18-15-28/h1,3-4,7-8,21,27,29H,2,5-6,9-19H2,(H,25,30)(H,26,31)/t21-/m0/s1 |
| InChIKey | LWFACIJXAFIJOL-NRFANRHFSA-N |
| Molecular Weight | 446.592 g/mol |
| SMILES | C1(CCCCC1)(C(=O)NCCN1CCOCC1)N[C@](C(=O)NCCO)(CC1=CC=CC=C1)[H] |