| SpectraBase Compound ID | K3RqfDBRs09 |
|---|---|
| InChI | InChI=1S/C20H29N3O6/c1-12(2)16(23-20(27)29-11-15-9-7-6-8-10-15)18(25)21-13(3)17(24)22-14(4)19(26)28-5/h6-10,12-14,16H,11H2,1-5H3,(H,21,25)(H,22,24)(H,23,27)/t13-,14-,16?/m0/s1 |
| InChIKey | BVTCBXCYRIETDA-ADTLFGHVSA-N |
| Mol Weight | 407.47 g/mol |
| Molecular Formula | C20H29N3O6 |
| Exact Mass | 407.205636 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EeTXnV8o8L1 |
|---|---|
| Name | Methyl-N-(benzyloxycarbonyl)-valylalanylalanine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 407.205635660 u |
| Formula | C20H29N3O6 |
| InChI | InChI=1S/C20H29N3O6/c1-12(2)16(23-20(27)29-11-15-9-7-6-8-10-15)18(25)21-13(3)17(24)22-14(4)19(26)28-5/h6-10,12-14,16H,11H2,1-5H3,(H,21,25)(H,22,24)(H,23,27)/t13-,14-,16?/m0/s1 |
| InChIKey | BVTCBXCYRIETDA-ADTLFGHVSA-N |
| Molecular Weight | 407.467 g/mol |
| SMILES | C(N[C@](C(N[C@](C(=O)OC)(C)[H])=O)(C)[H])([C@@](NC(=O)OCC=1C=CC=CC1)(C(C)C)[H])=O |