| 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 |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LfpRrYMhwQ9 |
|---|---|
| Name | (2S)-Benzyloxycarbonylamino-6-(1-thyminyl)hexanoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 | N1C(C(=CN(CCCC[C@@](C(=O)O)(NC(=O)OCc2ccccc2)[H])C1=O)C)=O |
| SPLASH | splash10-01ot-0059000000-1133a85acb103db715c9 |
| Source of Spectrum | KC-57-6551-27 |
| Synonyms | (2S)-2-{[(benzyloxy)carbonyl]amino}-6-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)hexanoic acid |
| Wiley ID | 1625244 |