| SpectraBase Compound ID | Kg8evJYCGN |
|---|---|
| InChI | InChI=1S/C19H23N3O6/c1-13-11-22(18(26)21-16(13)23)10-6-5-9-15(17(24)25)20-19(27)28-12-14-7-3-2-4-8-14/h2-4,7-8,11,15H,5-6,9-10,12H2,1H3,(H,20,27)(H,24,25)(H,21,23,26)/t15-/m0/s1 |
| InChIKey | MGAGNEUPVFIDKC-HNNXBMFYSA-N |
| Mol Weight | 389.41 g/mol |
| Molecular Formula | C19H23N3O6 |
| Exact Mass | 389.158685 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CcTMZkRyGK |
|---|---|
| Name | (2S)-Benzyloxycarbonylamino-6-(1-thyminyl)hexanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 389.158685467 u |
| Formula | C19H23N3O6 |
| InChI | InChI=1S/C19H23N3O6/c1-13-11-22(18(26)21-16(13)23)10-6-5-9-15(17(24)25)20-19(27)28-12-14-7-3-2-4-8-14/h2-4,7-8,11,15H,5-6,9-10,12H2,1H3,(H,20,27)(H,24,25)(H,21,23,26)/t15-/m0/s1 |
| InChIKey | MGAGNEUPVFIDKC-HNNXBMFYSA-N |
| Molecular Weight | 389.408 g/mol |
| SMILES | C1(NC(C(=CN1CCCC[C@](NC(=O)OCC=1C=CC=CC1)(C(=O)O)[H])C)=O)=O |