| SpectraBase Compound ID | BxaDAEPq57u |
|---|---|
| InChI | InChI=1S/C21H30N4O7S/c1-3-31-19(28)13-22-17(26)11-23-20(29)16(9-10-33-2)25-18(27)12-24-21(30)32-14-15-7-5-4-6-8-15/h4-8,16H,3,9-14H2,1-2H3,(H,22,26)(H,23,29)(H,24,30)(H,25,27)/t16-/m0/s1 |
| InChIKey | PFASNQNJJHVRTQ-INIZCTEOSA-N |
| Mol Weight | 482.55 g/mol |
| Molecular Formula | C21H30N4O7S |
| Exact Mass | 482.18352 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8tct473RjCZ |
|---|---|
| Name | Ethyl-N-(benzyloxycarbonyl)-glycylmethionylglycylglycine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 482.183520489 u |
| Formula | C21H30N4O7S |
| InChI | InChI=1S/C21H30N4O7S/c1-3-31-19(28)13-22-17(26)11-23-20(29)16(9-10-33-2)25-18(27)12-24-21(30)32-14-15-7-5-4-6-8-15/h4-8,16H,3,9-14H2,1-2H3,(H,22,26)(H,23,29)(H,24,30)(H,25,27)/t16-/m0/s1 |
| InChIKey | PFASNQNJJHVRTQ-INIZCTEOSA-N |
| Molecular Weight | 482.552 g/mol |
| SMILES | C(N[C@](C(NCC(NCC(=O)OCC)=O)=O)(CCSC)[H])(CNC(=O)OCC1=CC=CC=C1)=O |