![3-[N-(Benzyloxycarbonyl)-N-{3'-[(t-butoxy)carbonylamino]propyl}amino}-N-cyclohexylpropanamide](/api/spectrum/DzIjr6zwkDm/structure.png?h=300&w=458 "3-[N-(Benzyloxycarbonyl)-N-{3'-[(t-butoxy)carbonylamino]propyl}amino}-N-cyclohexylpropanamide")
| SpectraBase Compound ID | 2VXlxDhlRHV |
|---|---|
| InChI | InChI=1S/C25H39N3O5/c1-25(2,3)33-24(31)26-17-10-18-27-28(21-13-8-5-9-14-21)22(29)15-16-23(30)32-19-20-11-6-4-7-12-20/h4,6-7,11-12,21,27H,5,8-10,13-19H2,1-3H3,(H,26,31) |
| InChIKey | ZWGMEHWWXVUSPZ-UHFFFAOYSA-N |
| Mol Weight | 461.6 g/mol |
| Molecular Formula | C25H39N3O5 |
| Exact Mass | 461.288971 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DzIjr6zwkDm |
|---|---|
| Name | 3-[N-(Benzyloxycarbonyl)-N-{3'-[(T-butoxy)carbonylamino]propyl}amino}-N-cyclohexylpropanamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 461.288971363 u |
| Formula | C25H39N3O5 |
| InChI | InChI=1S/C25H39N3O5/c1-25(2,3)33-24(31)26-17-10-18-27-28(21-13-8-5-9-14-21)22(29)15-16-23(30)32-19-20-11-6-4-7-12-20/h4,6-7,11-12,21,27H,5,8-10,13-19H2,1-3H3,(H,26,31) |
| InChIKey | ZWGMEHWWXVUSPZ-UHFFFAOYSA-N |
| Molecular Weight | 461.603 g/mol |
| SMILES | C(N(C1CCCCC1)NCCCNC(OC(C)(C)C)=O)(=O)CCC(=O)OCC1=CC=CC=C1 |