(2S)-2-[(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amino]-4-methylpentanoic acid

SpectraBase Compound ID	3avurKdp7bs
InChI	InChI=1S/C23H27N3O2S/c1-14(2)12-17(23(27)28)24-21-20-16-10-6-7-11-18(16)29-22(20)26-19(25-21)13-15-8-4-3-5-9-15/h3-5,8-9,14,17H,6-7,10-13H2,1-2H3,(H,27,28)(H,24,25,26)
InChIKey	KKNWCDIKZXRZSK-UHFFFAOYSA-N Google Search
Mol Weight	409.55 g/mol
Molecular Formula	C23H27N3O2S
Exact Mass	409.182398 g/mol

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SpectraBase Spectrum ID	DWLIsasSpXm
Name	(2S)-2-[(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amino]-4-methylpentanoic acid
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C23H27N3O2S/c1-14(2)12-17(23(27)28)24-21-20-16-10-6-7-11-18(16)29-22(20)26-19(25-21)13-15-8-4-3-5-9-15/h3-5,8-9,14,17H,6-7,10-13H2,1-2H3,(H,27,28)(H,24,25,26)
InChIKey	KKNWCDIKZXRZSK-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_7631
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: 129701; Labnumber: EXP11T0063; VK_ID: VK-007635
Synonyms	2-[(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amino]-4-methylpentanoic acid
Temperature	308 °C