| SpectraBase Compound ID | KdeuspKvMPk |
|---|---|
| InChI | InChI=1S/C25H38N6O7/c1-7-26-20(32)14(2)27-21(33)15(3)28-22(34)16(4)29-23(35)17(5)30-24(36)18(6)31-25(37)38-13-19-11-9-8-10-12-19/h8-12,14-18H,7,13H2,1-6H3,(H,26,32)(H,27,33)(H,28,34)(H,29,35)(H,30,36)(H,31,37) |
| InChIKey | MSRCMBHHYBQGSP-UHFFFAOYSA-N |
| Mol Weight | 534.6 g/mol |
| Molecular Formula | C25H38N6O7 |
| Exact Mass | 534.280198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Gadhn9laui |
|---|---|
| Name | N-Benzyloxycarbonyl-L-alanyl-L-alanyl-L-alanyl-L-lalnyl-L-alanine ethylamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 534.280197581 u |
| Formula | C25H38N6O7 |
| InChI | InChI=1S/C25H38N6O7/c1-7-26-20(32)14(2)27-21(33)15(3)28-22(34)16(4)29-23(35)17(5)30-24(36)18(6)31-25(37)38-13-19-11-9-8-10-12-19/h8-12,14-18H,7,13H2,1-6H3,(H,26,32)(H,27,33)(H,28,34)(H,29,35)(H,30,36)(H,31,37) |
| InChIKey | MSRCMBHHYBQGSP-UHFFFAOYSA-N |
| Molecular Weight | 534.614 g/mol |
| SMILES | C1=C(C=CC=C1)COC(NC(C(NC(C(NC(C(NC(C(=O)NC(C)C(NCC)=O)C)=O)C)=O)C)=O)C)=O |