SpectraBase Spectrum ID |
8auNf4VX2pt |
Name |
(3S,4S)-Methyl 3-(4-methoxyphenyl)-4-(4-methylphenylsulfonamido)-5-oxo-5-phenylpentanoate |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
481.155908761 u |
Formula |
C26H27NO6S |
InChI |
InChI=1S/C26H27NO6S/c1-18-9-15-22(16-10-18)34(30,31)27-25(26(29)20-7-5-4-6-8-20)23(17-24(28)33-3)19-11-13-21(32-2)14-12-19/h4-16,23,25,27H,17H2,1-3H3/t23-,25-/m0/s1 |
InChIKey |
MGYMDPPWOHTNBA-ZCYQVOJMSA-N |
Molecular Weight |
481.563 g/mol |
SMILES |
[C@](NS(=O)(=O)C1=CC=C(C=C1)C)(C(=O)C1=CC=CC=C1)([C@@](CC(OC)=O)(C1=CC=C(C=C1)OC)[H])[H] |