| SpectraBase Compound ID | 22cz6gPoppz |
|---|---|
| InChI | InChI=1S/C21H30N2O7/c1-4-29-20(27)17(12-14(2)3)22-19(26)16(10-11-18(24)25)23-21(28)30-13-15-8-6-5-7-9-15/h5-9,14,16-17H,4,10-13H2,1-3H3,(H,22,26)(H,23,28)(H,24,25) |
| InChIKey | LDIKYJJYMGMXIA-UHFFFAOYSA-N |
| Mol Weight | 422.48 g/mol |
| Molecular Formula | C21H30N2O7 |
| Exact Mass | 422.205301 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BmjU3j3pGFg |
|---|---|
| Name | N-Carbobenzyloxy-glutaminyl-leucine ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 422.205301307 u |
| Formula | C21H30N2O7 |
| InChI | InChI=1S/C21H30N2O7/c1-4-29-20(27)17(12-14(2)3)22-19(26)16(10-11-18(24)25)23-21(28)30-13-15-8-6-5-7-9-15/h5-9,14,16-17H,4,10-13H2,1-3H3,(H,22,26)(H,23,28)(H,24,25) |
| InChIKey | LDIKYJJYMGMXIA-UHFFFAOYSA-N |
| Molecular Weight | 422.478 g/mol |
| SMILES | CC(CC(NC(C(NC(=O)OCC1=CC=CC=C1)CCC(=O)O)=O)C(OCC)=O)C |