| SpectraBase Compound ID | 9NAPgzGysam |
|---|---|
| InChI | InChI=1S/C19H27N3O6/c1-4-27-16(24)11-20-15(23)10-21-18(25)17(13(2)3)22-19(26)28-12-14-8-6-5-7-9-14/h5-9,13,17H,4,10-12H2,1-3H3,(H,20,23)(H,21,25)(H,22,26)/t17-/m0/s1 |
| InChIKey | FGAYYTCRPMZTEZ-KRWDZBQOSA-N |
| Mol Weight | 393.44 g/mol |
| Molecular Formula | C19H27N3O6 |
| Exact Mass | 393.189986 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fa0LpoEe33z |
|---|---|
| Name | Ethyl-N-(benzyloxycarbonyl)-valylglycylglycine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 393.189985595 u |
| Formula | C19H27N3O6 |
| InChI | InChI=1S/C19H27N3O6/c1-4-27-16(24)11-20-15(23)10-21-18(25)17(13(2)3)22-19(26)28-12-14-8-6-5-7-9-14/h5-9,13,17H,4,10-12H2,1-3H3,(H,20,23)(H,21,25)(H,22,26)/t17-/m0/s1 |
| InChIKey | FGAYYTCRPMZTEZ-KRWDZBQOSA-N |
| Molecular Weight | 393.440 g/mol |
| SMILES | C(N[C@](C(NCC(NCC(=O)OCC)=O)=O)(C(C)C)[H])(=O)OCC=1C=CC=CC1 |