![Pyrrol1-[3-(2-tert-butoxycarbonylamino-propionylamino)-propylcarbamoyl]-ethylmorpho-carbamic acid, tert-butyl ester](/api/spectrum/A9yGei771IV/structure.png?h=300&w=458 "Pyrrol1-[3-(2-tert-butoxycarbonylamino-propionylamino)-propylcarbamoyl]-ethylmorpho-carbamic acid, tert-butyl ester")
| SpectraBase Compound ID | D9RqwjjzTkk |
|---|---|
| InChI | InChI=1S/C19H36N4O6/c1-12(22-16(26)28-18(3,4)5)14(24)20-10-9-11-21-15(25)13(2)23-17(27)29-19(6,7)8/h12-13H,9-11H2,1-8H3,(H,20,24)(H,21,25)(H,22,26)(H,23,27) |
| InChIKey | BTKORKCQCHTSTQ-UHFFFAOYSA-N |
| Mol Weight | 416.5 g/mol |
| Molecular Formula | C19H36N4O6 |
| Exact Mass | 416.263485 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A9yGei771IV |
|---|---|
| Name | Pyrrol1-[3-(2-tert-butoxycarbonylamino-propionylamino)-propylcarbamoyl]-ethylmorpho-carbamic acid, tert-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 416.263484889 u |
| Formula | C19H36N4O6 |
| InChI | InChI=1S/C19H36N4O6/c1-12(22-16(26)28-18(3,4)5)14(24)20-10-9-11-21-15(25)13(2)23-17(27)29-19(6,7)8/h12-13H,9-11H2,1-8H3,(H,20,24)(H,21,25)(H,22,26)(H,23,27) |
| InChIKey | BTKORKCQCHTSTQ-UHFFFAOYSA-N |
| Molecular Weight | 416.519 g/mol |
| SMILES | C(NC(C(=O)NCCCNC(C(NC(OC(C)(C)C)=O)C)=O)C)(OC(C)(C)C)=O |