![4-[(2-Allyloxycarbonylamino-ethyl)-methyl-carbamoyl]-2-decanoylamino-butyric acid benzyl ester](/api/spectrum/FMq5muTF18F/structure.png?h=300&w=458 "4-[(2-Allyloxycarbonylamino-ethyl)-methyl-carbamoyl]-2-decanoylamino-butyric acid benzyl ester")
| SpectraBase Compound ID | 410Y62XWvWs |
|---|---|
| InChI | InChI=1S/C29H45N3O6/c1-4-6-7-8-9-10-14-17-26(33)31-25(28(35)38-23-24-15-12-11-13-16-24)18-19-27(34)32(3)21-20-30-29(36)37-22-5-2/h5,11-13,15-16,25H,2,4,6-10,14,17-23H2,1,3H3,(H,30,36)(H,31,33) |
| InChIKey | ZSKNHLXOKIQOFZ-UHFFFAOYSA-N |
| Mol Weight | 531.7 g/mol |
| Molecular Formula | C29H45N3O6 |
| Exact Mass | 531.330836 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FMq5muTF18F |
|---|---|
| Name | 4-[(2-Allyloxycarbonylamino-ethyl)-methyl-carbamoyl]-2-decanoylamino-butyric acid benzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 531.330836175 u |
| Formula | C29H45N3O6 |
| InChI | InChI=1S/C29H45N3O6/c1-4-6-7-8-9-10-14-17-26(33)31-25(28(35)38-23-24-15-12-11-13-16-24)18-19-27(34)32(3)21-20-30-29(36)37-22-5-2/h5,11-13,15-16,25H,2,4,6-10,14,17-23H2,1,3H3,(H,30,36)(H,31,33) |
| InChIKey | ZSKNHLXOKIQOFZ-UHFFFAOYSA-N |
| Molecular Weight | 531.694 g/mol |
| SMILES | C(C(NC(=O)CCCCCCCCC)CCC(N(CCNC(=O)OCC=C)C)=O)(OCC=1C=CC=CC1)=O |