![Pyrrol[3-(2-tert-butoxycarbonylamino-acetylamino)-propylcarbamoyl]-methylmorpho-carbamic acid, tert-butyl ester](/api/spectrum/EWQSUZcXe50/structure.png?h=300&w=458 "Pyrrol[3-(2-tert-butoxycarbonylamino-acetylamino)-propylcarbamoyl]-methylmorpho-carbamic acid, tert-butyl ester")
| SpectraBase Compound ID | 4QJ23P1agGp |
|---|---|
| InChI | InChI=1S/C17H32N4O6/c1-16(2,3)26-14(24)20-10-12(22)18-8-7-9-19-13(23)11-21-15(25)27-17(4,5)6/h7-11H2,1-6H3,(H,18,22)(H,19,23)(H,20,24)(H,21,25) |
| InChIKey | FEEGJHDJTLSNJB-UHFFFAOYSA-N |
| Mol Weight | 388.5 g/mol |
| Molecular Formula | C17H32N4O6 |
| Exact Mass | 388.232185 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EWQSUZcXe50 |
|---|---|
| Name | Pyrrol[3-(2-tert-butoxycarbonylamino-acetylamino)-propylcarbamoyl]-methylmorpho-carbamic acid, tert-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.232184760 u |
| Formula | C17H32N4O6 |
| InChI | InChI=1S/C17H32N4O6/c1-16(2,3)26-14(24)20-10-12(22)18-8-7-9-19-13(23)11-21-15(25)27-17(4,5)6/h7-11H2,1-6H3,(H,18,22)(H,19,23)(H,20,24)(H,21,25) |
| InChIKey | FEEGJHDJTLSNJB-UHFFFAOYSA-N |
| Molecular Weight | 388.465 g/mol |
| SMILES | C(NCC(=O)NCCCNC(=O)CNC(OC(C)(C)C)=O)(OC(C)(C)C)=O |