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(4S,5R)-3-[(2R,3R)-2,3-diphenyl-3-(tosylamino)propionyl]-4-methyl-5-phenyloxazolodin-2-one

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(4S,5R)-3-[(2R,3R)-2,3-diphenyl-3-(tosylamino)propionyl]-4-methyl-5-phenyloxazolodin-2-one
SpectraBase Compound ID ANHOsqhnWe
InChI InChI=1S/C32H30N2O5S/c1-22-18-20-27(21-19-22)40(37,38)33-29(25-14-8-4-9-15-25)28(24-12-6-3-7-13-24)31(35)34-23(2)30(39-32(34)36)26-16-10-5-11-17-26/h3-21,23,28-30,33H,1-2H3/t23-,28+,29-,30-/m0/s1
InChIKey ONHLDWOKLLIMSN-UUAGDVGUSA-N
Mol Weight 554.7 g/mol
Molecular Formula C32H30N2O5S
Exact Mass 554.187543 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BFOSXkNpsvW
Name (4S,5R)-3-[(2R,3R)-2,3-Diphenyl-3-(tosylamino)propionyl]-4-methyl-5-phenyloxazolodin-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 554.187543243 u
Formula C32H30N2O5S
InChI InChI=1S/C32H30N2O5S/c1-22-18-20-27(21-19-22)40(37,38)33-29(25-14-8-4-9-15-25)28(24-12-6-3-7-13-24)31(35)34-23(2)30(39-32(34)36)26-16-10-5-11-17-26/h3-21,23,28-30,33H,1-2H3/t23-,28+,29-,30-/m0/s1
InChIKey ONHLDWOKLLIMSN-UUAGDVGUSA-N
Molecular Weight 554.661 g/mol
SMILES C1(N([C@]([C@](O1)(C=1C=CC=CC1)[H])(C)[H])C([C@@]([C@@](NS(C1=CC=C(C=C1)C)(=O)=O)(C=1C=CC=CC1)[H])(C1=CC=CC=C1)[H])=O)=O