| SpectraBase Compound ID | Vb2gPyTlaw |
|---|---|
| InChI | InChI=1S/C26H38N4O7/c1-16(2)21(24(33)29-22(17(3)4)25(34)36-5)28-23(32)19-12-9-13-30(19)20(31)14-27-26(35)37-15-18-10-7-6-8-11-18/h6-8,10-11,16-17,19,21-22H,9,12-15H2,1-5H3,(H,27,35)(H,28,32)(H,29,33)/t19-,21-,22-/m0/s1 |
| InChIKey | JWNJLDBNKLOGIG-BVSLBCMMSA-N |
| Mol Weight | 518.6 g/mol |
| Molecular Formula | C26H38N4O7 |
| Exact Mass | 518.27405 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JcGEqSvaB2N |
|---|---|
| Name | Methyl-N-(benzyloxycarbonyl)-prolylvalylvaline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 518.274049573 u |
| Formula | C26H38N4O7 |
| InChI | InChI=1S/C26H38N4O7/c1-16(2)21(24(33)29-22(17(3)4)25(34)36-5)28-23(32)19-12-9-13-30(19)20(31)14-27-26(35)37-15-18-10-7-6-8-11-18/h6-8,10-11,16-17,19,21-22H,9,12-15H2,1-5H3,(H,27,35)(H,28,32)(H,29,33)/t19-,21-,22-/m0/s1 |
| InChIKey | JWNJLDBNKLOGIG-BVSLBCMMSA-N |
| Molecular Weight | 518.611 g/mol |
| SMILES | [C@]1(N(CCC1)C(CNC(=O)OCC=1C=CC=CC1)=O)(C(N[C@](C(N[C@](C(=O)OC)(C(C)C)[H])=O)(C(C)C)[H])=O)[H] |