1-{[5-(9H-purin-6-ylsulfanyl)pentanoyl]amino}cyclopentanecarboxylic acid

SpectraBase Compound ID	4dSGiQnEAKA
InChI	InChI=1S/C16H21N5O3S/c22-11(21-16(15(23)24)6-2-3-7-16)5-1-4-8-25-14-12-13(18-9-17-12)19-10-20-14/h9-10H,1-8H2,(H,21,22)(H,23,24)(H,17,18,19,20)
InChIKey	VNVOFKHVJLPEEZ-UHFFFAOYSA-N Google Search
Mol Weight	363.44 g/mol
Molecular Formula	C16H21N5O3S
Exact Mass	363.136511 g/mol

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SpectraBase Spectrum ID	CEnCQqfIzRO
Name	1-{[5-(9H-purin-6-ylsulfanyl)pentanoyl]amino}cyclopentanecarboxylic 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/C16H21N5O3S/c22-11(21-16(15(23)24)6-2-3-7-16)5-1-4-8-25-14-12-13(18-9-17-12)19-10-20-14/h9-10H,1-8H2,(H,21,22)(H,23,24)(H,17,18,19,20)
InChIKey	VNVOFKHVJLPEEZ-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_16747
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: 987/00004328; Labnumber: 987/00004328218852; VK_ID: VK-016752
Temperature	318 °C