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1,4-Dibenzyl-3-(2'-thiopyridyl)-6-(1''-(hydroxymethyl)-3''-(hydroxypropyl))-2,5-piperazinedione

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1,4-Dibenzyl-3-(2'-thiopyridyl)-6-(1''-(hydroxymethyl)-3''-(hydroxypropyl))-2,5-piperazinedione
SpectraBase Compound ID JM8oFPlfvR
InChI InChI=1S/C27H29N3O4S/c31-16-14-22(19-32)24-25(33)30(18-21-11-5-2-6-12-21)27(35-23-13-7-8-15-28-23)26(34)29(24)17-20-9-3-1-4-10-20/h1-13,15,22,24,27,31-32H,14,16-19H2
InChIKey SPIWCTBYGFIUMS-UHFFFAOYSA-N
Mol Weight 491.61 g/mol
Molecular Formula C27H29N3O4S
Exact Mass 491.187878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IFTcezfzfjY
Name 1,4-Dibenzyl-3-(2'-thiopyridyl)-6-(1''-(hydroxymethyl)-3''-(hydroxypropyl))-2,5-piperazinedione
CAS Registry Number 95782-30-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H29N3O4S
InChI InChI=1S/C27H29N3O4S/c31-16-14-22(19-32)24-25(33)30(18-21-11-5-2-6-12-21)27(35-23-13-7-8-15-28-23)26(34)29(24)17-20-9-3-1-4-10-20/h1-13,15,22,24,27,31-32H,14,16-19H2
InChIKey SPIWCTBYGFIUMS-UHFFFAOYSA-N
Molecular Weight 491.606 g/mol
SMILES OCC(CCO)C1N(Cc2ccccc2)C(C(N(C1=O)Cc1ccccc1)Sc1ncccc1)=O
SPLASH splash10-0006-9000000000-4b585c95ca5717818f51
Source of Spectrum C-107-3260-0
Synonyms 1,4-Dibenzyl-3-(2'-thiopyridyl)-6-(1''-(hydroxymethyl)-3''-(hydroxypropyl)-2,5-piperazinedione 1,4-Dibenzyl-3-(2'-thiopyridyl)-6-(1''-(hydroxymethyl)-3''-(hydroxypropyl))-2,5-piperazinedione 1,4-Dibenzyl-3-[3-hydroxy-1-(hydroxymethyl)propyl]-6-(2-pyridinylsulfanyl)-2,5-piperazinedione
Wiley ID 1397407