![(S)-2-[(2-(Cyclohexylamino)-2-oxoethyl]amino)-N-(2,2-dimethoxyethyl)-3-phenylpropanamide](/api/spectrum/4Mr72ah2l5D/structure.png?h=300&w=458 "(S)-2-[(2-(Cyclohexylamino)-2-oxoethyl]amino)-N-(2,2-dimethoxyethyl)-3-phenylpropanamide")
| SpectraBase Compound ID | IJI7s46J2GJ |
|---|---|
| InChI | InChI=1S/C21H33N3O4/c1-27-20(28-2)15-23-21(26)18(13-16-9-5-3-6-10-16)22-14-19(25)24-17-11-7-4-8-12-17/h3,5-6,9-10,17-18,20,22H,4,7-8,11-15H2,1-2H3,(H,23,26)(H,24,25)/t18-/m0/s1 |
| InChIKey | YSSQCYGZOULESP-SFHVURJKSA-N |
| Mol Weight | 391.5 g/mol |
| Molecular Formula | C21H33N3O4 |
| Exact Mass | 391.247107 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Mr72ah2l5D |
|---|---|
| Name | (S)-2-[(2-(Cyclohexylamino)-2-oxoethyl]amino)-N-(2,2-dimethoxyethyl)-3-phenylpropanamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 391.247106551 u |
| Formula | C21H33N3O4 |
| InChI | InChI=1S/C21H33N3O4/c1-27-20(28-2)15-23-21(26)18(13-16-9-5-3-6-10-16)22-14-19(25)24-17-11-7-4-8-12-17/h3,5-6,9-10,17-18,20,22H,4,7-8,11-15H2,1-2H3,(H,23,26)(H,24,25)/t18-/m0/s1 |
| InChIKey | YSSQCYGZOULESP-SFHVURJKSA-N |
| Molecular Weight | 391.512 g/mol |
| SMILES | C([C@](CC1=CC=CC=C1)(NCC(=O)NC1CCCCC1)[H])(=O)NCC(OC)OC |