| SpectraBase Compound ID | FZeklhkgref |
|---|---|
| InChI | InChI=1S/C22H33N3O6/c1-14(2)10-17(20(28)23-12-19(26)27)24-21(29)18(11-15(3)4)25-22(30)31-13-16-8-6-5-7-9-16/h5-9,14-15,17-18H,10-13H2,1-4H3,(H,23,28)(H,24,29)(H,25,30)(H,26,27)/t17-,18-/m0/s1 |
| InChIKey | HKPVKXKDAXVNNM-ROUUACIJSA-N |
| Mol Weight | 435.5 g/mol |
| Molecular Formula | C22H33N3O6 |
| Exact Mass | 435.236936 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | J0Pc8iLIMiP |
|---|---|
| Name | N-Carbobenzoxyleucyl-leucyl-glycine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 435.236935789 u |
| Formula | C22H33N3O6 |
| InChI | InChI=1S/C22H33N3O6/c1-14(2)10-17(20(28)23-12-19(26)27)24-21(29)18(11-15(3)4)25-22(30)31-13-16-8-6-5-7-9-16/h5-9,14-15,17-18H,10-13H2,1-4H3,(H,23,28)(H,24,29)(H,25,30)(H,26,27)/t17-,18-/m0/s1 |
| InChIKey | HKPVKXKDAXVNNM-ROUUACIJSA-N |
| Molecular Weight | 435.521 g/mol |
| SMILES | C(N[C@](C(NCC(=O)O)=O)(CC(C)C)[H])([C@@](NC(=O)OCC=1C=CC=CC1)(CC(C)C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92826 |