| SpectraBase Spectrum ID |
LtNpx1ACvAJ |
| Name |
2-[(3-Tert-butoxy-3-keto-prop-1-ynyl)-tosyl-amino]-3-phenyl-propionic acid methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
457.155908761 u |
| Formula |
C24H27NO6S |
| InChI |
InChI=1S/C24H27NO6S/c1-18-11-13-20(14-12-18)32(28,29)25(16-15-22(26)31-24(2,3)4)21(23(27)30-5)17-19-9-7-6-8-10-19/h6-14,21H,17H2,1-5H3/t21-/m0/s1 |
| InChIKey |
DEUZRWRTBUPBHK-NRFANRHFSA-N |
| Molecular Weight |
457.541 g/mol |
| SMILES |
C(N(S(C1=CC=C(C=C1)C)(=O)=O)[C@](C(=O)OC)(CC1=CC=CC=C1)[H])#CC(OC(C)(C)C)=O |
![2-[(3-Tert-butoxy-3-keto-prop-1-ynyl)-tosyl-amino]-3-phenyl-propionic acid methyl ester](/api/spectrum/LtNpx1ACvAJ/structure.png?h=300&w=458 "2-[(3-Tert-butoxy-3-keto-prop-1-ynyl)-tosyl-amino]-3-phenyl-propionic acid methyl ester")
