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2-(2-(2-amino-4-(methylthio)butanamido)-4-methylpentanamido)-3-phenylpropanoic acid

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2-(2-(2-amino-4-(methylthio)butanamido)-4-methylpentanamido)-3-phenylpropanoic acid
SpectraBase Compound ID 8BYhNk64sxi
InChI InChI=1S/C20H31N3O4S/c1-13(2)11-16(22-18(24)15(21)9-10-28-3)19(25)23-17(20(26)27)12-14-7-5-4-6-8-14/h4-8,13,15-17H,9-12,21H2,1-3H3,(H,22,24)(H,23,25)(H,26,27)
InChIKey CHDYFPCQVUOJEB-UHFFFAOYSA-N
Mol Weight 409.55 g/mol
Molecular Formula C20H31N3O4S
Exact Mass 409.203528 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 50DLgJMixa6
Name 2-(2-(2-amino-4-(methylthio)butanamido)-4-methylpentanamido)-3-phenylpropanoic acid
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/C20H31N3O4S/c1-13(2)11-16(22-18(24)15(21)9-10-28-3)19(25)23-17(20(26)27)12-14-7-5-4-6-8-14/h4-8,13,15-17H,9-12,21H2,1-3H3,(H,22,24)(H,23,25)(H,26,27)
InChIKey CHDYFPCQVUOJEB-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_2121
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: ZI/6012255; Labnumber: MBO-48; IOH_ID: IOH-009124