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syn-1,4-Bis(p-methobenzyl)-3-(2'-thiopyridyl)-6-(1''-(hydroxymethyl)-3''-(hydroxypropyl)-2,5-piperazinedione

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syn-1,4-Bis(p-methobenzyl)-3-(2'-thiopyridyl)-6-(1''-(hydroxymethyl)-3''-(hydroxypropyl)-2,5-piperazinedione
SpectraBase Compound ID 66pOMNxqrdo
InChI InChI=1S/C29H33N3O6S/c1-37-23-10-6-20(7-11-23)17-31-26(22(19-34)14-16-33)27(35)32(18-21-8-12-24(38-2)13-9-21)29(28(31)36)39-25-5-3-4-15-30-25/h3-13,15,22,26,29,33-34H,14,16-19H2,1-2H3
InChIKey RJBAWSPFCOGKMQ-UHFFFAOYSA-N
Mol Weight 551.7 g/mol
Molecular Formula C29H33N3O6S
Exact Mass 551.209007 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IDYAAeJUECm
Name syn-1,4-bis(p-Methobenzyl)-3-(2'-thiopyridyl)-6-(1''-(hydroxymethyl)-3''-(hydroxypropyl)-2,5-piperazinedione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 551.209006963 u
Formula C29H33N3O6S
InChI InChI=1S/C29H33N3O6S/c1-37-23-10-6-20(7-11-23)17-31-26(22(19-34)14-16-33)27(35)32(18-21-8-12-24(38-2)13-9-21)29(28(31)36)39-25-5-3-4-15-30-25/h3-13,15,22,26,29,33-34H,14,16-19H2,1-2H3
InChIKey RJBAWSPFCOGKMQ-UHFFFAOYSA-N
Molecular Weight 551.658 g/mol
SMILES C1(N(C(C(N(C1=O)CC1=CC=C(C=C1)OC)C(CO)CCO)=O)CC=1C=CC(=CC1)OC)SC1=NC=CC=C1