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(3S,4S)-methyl 3-(4-methoxyphenyl)-4-(4-methylphenylsulfonamido)-5-oxo-5-phenylpentanoate
SpectraBase Compound ID 1dGxq8PzrYL
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
Mol Weight 481.56 g/mol
Molecular Formula C26H27NO6S
Exact Mass 481.155909 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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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]