| SpectraBase Spectrum ID |
3C4qs3wt43d |
| Name |
Methyl (2S)-2-{-tert-butoxy)-N-[(tert-butyloxy)carbonyl]carbonylamino}icosanoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
541.434238618 u |
| Formula |
C31H59NO6 |
| InChI |
InChI=1S/C31H59NO6/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27(33)36-8)32(28(34)37-30(2,3)4)29(35)38-31(5,6)7/h26H,9-25H2,1-8H3/t26-/m0/s1 |
| InChIKey |
KLQKYEQHGUBSJL-SANMLTNESA-N |
| Molecular Weight |
541.814 g/mol |
| SMILES |
C(N(C(OC(C)(C)C)=O)[C@](C(=O)OC)(CCCCCCCCCCCCCCCCCC)[H])(OC(C)(C)C)=O |
![Methyl (2S)-2-{-tert-butoxy)-N-[(tert-butyloxy)carbonyl]carbonylamino}icosanoate](/api/spectrum/3C4qs3wt43d/structure.png?h=300&w=458 "Methyl (2S)-2-{-tert-butoxy)-N-[(tert-butyloxy)carbonyl]carbonylamino}icosanoate")
