![N-(2-{[(benzyloxy)carbonyl]amino}-3-methylpentanoyl)leucine, tms](/api/spectrum/DhhDV7eRcbG/structure.png?h=300&w=458 "N-(2-{[(benzyloxy)carbonyl]amino}-3-methylpentanoyl)leucine, tms")
| SpectraBase Compound ID | 2pOwF7KPfW2 |
|---|---|
| InChI | InChI=1S/C23H38N2O5Si/c1-8-17(4)20(25-23(28)29-15-18-12-10-9-11-13-18)21(26)24-19(14-16(2)3)22(27)30-31(5,6)7/h9-13,16-17,19-20H,8,14-15H2,1-7H3,(H,24,26)(H,25,28) |
| InChIKey | CFVAMHOWSDVNBR-UHFFFAOYSA-N |
| Mol Weight | 450.7 g/mol |
| Molecular Formula | C23H38N2O5Si |
| Exact Mass | 450.254999 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DhhDV7eRcbG |
|---|---|
| Name | N-(2-{[(benzyloxy)carbonyl]amino}-3-methylpentanoyl)leucine, tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 450.254998862 u |
| Formula | C23H38N2O5Si |
| InChI | InChI=1S/C23H38N2O5Si/c1-8-17(4)20(25-23(28)29-15-18-12-10-9-11-13-18)21(26)24-19(14-16(2)3)22(27)30-31(5,6)7/h9-13,16-17,19-20H,8,14-15H2,1-7H3,(H,24,26)(H,25,28) |
| InChIKey | CFVAMHOWSDVNBR-UHFFFAOYSA-N |
| Molecular Weight | 450.651 g/mol |
| SMILES | C(NC(=O)OCC1=CC=CC=C1)(C(CC)C)C(=O)NC(CC(C)C)C(=O)O[Si](C)(C)C |