SpectraBase Spectrum ID |
2A0NkkIInrQ |
Name |
Methyl (5S)-5-(3,4-dimethoxyphenyl)-3-oxo-5-((p-tolylsulfinyl)amino)pentanoate |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C21H25NO6S |
InChI |
InChI=1S/C21H25NO6S/c1-14-5-8-17(9-6-14)29(25)22-18(12-16(23)13-21(24)28-4)15-7-10-19(26-2)20(11-15)27-3/h5-11,18,22H,12-13H2,1-4H3/t18-,29?/m0/s1 |
InChIKey |
PWXHAGIAIOGNCM-STFFIMJZSA-N |
Molecular Weight |
419.492 g/mol |
SMILES |
N(S(c1ccc(cc1)C)=O)[C@](c1ccc(OC)c(OC)c1)(CC(CC(=O)OC)=O)[H] |
SPLASH |
splash10-0540-0390000000-0afe1b1f4347a764a206 |
Source of Spectrum |
ACI-53-SMS-18-12 |
Wiley ID |
1782853 |