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(S)-3-(((R)-2-ammonio-3-(benzyloxy)-3-oxopropyl)disulfanyl)-1-(benzyloxy)-1-oxopropan-2-aminium) 4-methylbenzenesulfonate

View entire compound with spectra: 1 NMR

(S)-3-(((R)-2-ammonio-3-(benzyloxy)-3-oxopropyl)disulfanyl)-1-(benzyloxy)-1-oxopropan-2-aminium) 4-methylbenzenesulfonate
SpectraBase Compound ID 9xX2FU8EiIb
InChI InChI=1S/C20H24N2O4S2.C7H8O3S/c21-17(19(23)25-11-15-7-3-1-4-8-15)13-27-28-14-18(22)20(24)26-12-16-9-5-2-6-10-16;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,17-18H,11-14,21-22H2;2-5H,1H3,(H,8,9,10)/p+1
InChIKey NFWLWMQVYFIEOD-UHFFFAOYSA-O
Mol Weight 593.75 g/mol
Molecular Formula C27H33N2O7S3
Exact Mass 593.14499 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8BtVyMjGPLT
Name (S)-3-(((R)-2-ammonio-3-(benzyloxy)-3-oxopropyl)disulfanyl)-1-(benzyloxy)-1-oxopropan-2-aminium) 4-methylbenzenesulfonate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H24N2O4S2.C7H8O3S/c21-17(19(23)25-11-15-7-3-1-4-8-15)13-27-28-14-18(22)20(24)26-12-16-9-5-2-6-10-16;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,17-18H,11-14,21-22H2;2-5H,1H3,(H,8,9,10)/p+1
InChIKey NFWLWMQVYFIEOD-UHFFFAOYSA-O
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_16169
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 987/00003309; Labnumber: 987/00003309218840; VK_ID: VK-016174
Temperature 308 °C