| SpectraBase Compound ID | 2WVNcGNg1jZ |
|---|---|
| InChI | InChI=1S/C22H33N3O6/c1-13(2)17(20(27)25-18(14(3)4)21(28)30-6)24-19(26)15(5)23-22(29)31-12-16-10-8-7-9-11-16/h7-11,13-15,17-18H,12H2,1-6H3,(H,23,29)(H,24,26)(H,25,27)/t15-,17-,18-/m0/s1 |
| InChIKey | PVPHUIGFBRKLNM-SZMVWBNQSA-N |
| Mol Weight | 435.5 g/mol |
| Molecular Formula | C22H33N3O6 |
| Exact Mass | 435.236936 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KX7E2gC8Lbb |
|---|---|
| Name | Methyl-N-(benzyloxycarbonyl)-alanylvalylvaline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 435.236935789 u |
| Formula | C22H33N3O6 |
| InChI | InChI=1S/C22H33N3O6/c1-13(2)17(20(27)25-18(14(3)4)21(28)30-6)24-19(26)15(5)23-22(29)31-12-16-10-8-7-9-11-16/h7-11,13-15,17-18H,12H2,1-6H3,(H,23,29)(H,24,26)(H,25,27)/t15-,17-,18-/m0/s1 |
| InChIKey | PVPHUIGFBRKLNM-SZMVWBNQSA-N |
| Molecular Weight | 435.521 g/mol |
| SMILES | C(N[C@](C(=O)OC)(C(C)C)[H])([C@@](NC([C@@](NC(=O)OCC=1C=CC=CC1)(C)[H])=O)(C(C)C)[H])=O |