| SpectraBase Spectrum ID |
4t9WvfajqLY |
| Name |
dl-Valyl-dl-valine, N,N'-dimethyl-N'-(but-3-yn-1-yloxycarbonyl)-, butyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.262422262 u |
| Formula |
C21H36N2O5 |
| InChI |
InChI=1S/C21H36N2O5/c1-9-11-13-27-20(25)18(16(5)6)22(7)19(24)17(15(3)4)23(8)21(26)28-14-12-10-2/h2,15-18H,9,11-14H2,1,3-8H3 |
| InChIKey |
XMWLHYLAJDSWRH-UHFFFAOYSA-N |
| Molecular Weight |
396.528 g/mol |
| SMILES |
C(N(C(C(C)C)C(OCCCC)=O)C)(C(N(C(OCCC#C)=O)C)C(C)C)=O |
