![(2R)-2-hydroxy-N-[(1S)-1-phenylethyl]-3-(p-tolylsulfonylamino)propanamide](/api/spectrum/5sw7GFIfinc/structure.png?h=300&w=458 "(2R)-2-hydroxy-N-[(1S)-1-phenylethyl]-3-(p-tolylsulfonylamino)propanamide")
| SpectraBase Compound ID | 2HrMneKpKGe |
|---|---|
| InChI | InChI=1S/C18H22N2O4S/c1-13-8-10-16(11-9-13)25(23,24)19-12-17(21)18(22)20-14(2)15-6-4-3-5-7-15/h3-11,14,17,19,21H,12H2,1-2H3,(H,20,22)/t14-,17+/m0/s1 |
| InChIKey | HUKWNYADBWOWCT-WMLDXEAASA-N |
| Mol Weight | 362.44 g/mol |
| Molecular Formula | C18H22N2O4S |
| Exact Mass | 362.130028 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5sw7GFIfinc |
|---|---|
| Name | (2R)-2-Hydroxy-N-[(1S)-1-phenylethyl]-3-(p-tolylsulfonylamino)propanamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.130028366 u |
| Formula | C18H22N2O4S |
| InChI | InChI=1S/C18H22N2O4S/c1-13-8-10-16(11-9-13)25(23,24)19-12-17(21)18(22)20-14(2)15-6-4-3-5-7-15/h3-11,14,17,19,21H,12H2,1-2H3,(H,20,22)/t14-,17+/m0/s1 |
| InChIKey | HUKWNYADBWOWCT-WMLDXEAASA-N |
| Molecular Weight | 362.444 g/mol |
| SMILES | C(NS(C=1C=CC(=CC1)C)(=O)=O)[C@](C(N[C@](C=1C=CC=CC1)(C)[H])=O)(O)[H] |