| SpectraBase Compound ID | KkJnJRGnLqi |
|---|---|
| InChI | InChI=1S/C23H28N4O8/c1-4-35-23(32)27-13-16(24-14-27)12-18(22(31)34-3)26-21(30)17(10-11-19(28)33-2)25-20(29)15-8-6-5-7-9-15/h5-9,13-14,17-18H,4,10-12H2,1-3H3,(H,25,29)(H,26,30)/i5D,6D,7D,8D,9D |
| InChIKey | DPOGRKCOVKPLSG-CFEWMVNUSA-N |
| Mol Weight | 493.53 g/mol |
| Molecular Formula | C23H232D5N4O8 |
| Exact Mass | 493.222098 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DzDgr0tHUCp |
|---|---|
| Name | D5-benzoyl-glu-ome-N-ethoxycarbonyl-his |
| CAS Registry Number | 55521-21-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H23D5N4O8 |
| InChI | InChI=1S/C23H28N4O8/c1-4-35-23(32)27-13-16(24-14-27)12-18(22(31)34-3)26-21(30)17(10-11-19(28)33-2)25-20(29)15-8-6-5-7-9-15/h5-9,13-14,17-18H,4,10-12H2,1-3H3,(H,25,29)(H,26,30)/i5D,6D,7D,8D,9D |
| InChIKey | DPOGRKCOVKPLSG-CFEWMVNUSA-N |
| Molecular Weight | 493.528 g/mol |
| SMILES | N(C(c1c(c([2D])c(c(c1[2D])[2D])[2D])[2D])=O)C(C(NC(C(=O)OC)Cc1nc[n](c1)C(=O)OCC)=O)CCC(=O)OC |
| SPLASH | splash10-00or-0593500000-12d99d46c5cdb6e58998 |
| Source of Spectrum | T-68-5001-0 |
| Wiley ID | 62586 |