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

SpectraBase Compound ID	3TCCTgtaohx
InChI	InChI=1S/C26H25N3O2S/c30-26(31)20(15-17-9-3-1-4-10-17)27-24-23-19-13-7-8-14-21(19)32-25(23)29-22(28-24)16-18-11-5-2-6-12-18/h1-6,9-12,20H,7-8,13-16H2,(H,30,31)(H,27,28,29)
InChIKey	BBAVKGJFFHPYOL-UHFFFAOYSA-N Google Search
Mol Weight	443.57 g/mol
Molecular Formula	C26H25N3O2S
Exact Mass	443.166748 g/mol

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SpectraBase Spectrum ID	CvrKm4idEyP
Name	(2S)-2-[(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amino]-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/C26H25N3O2S/c30-26(31)20(15-17-9-3-1-4-10-17)27-24-23-19-13-7-8-14-21(19)32-25(23)29-22(28-24)16-18-11-5-2-6-12-18/h1-6,9-12,20H,7-8,13-16H2,(H,30,31)(H,27,28,29)
InChIKey	BBAVKGJFFHPYOL-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_7632
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: 129702; Labnumber: EXP11T0065; VK_ID: VK-007636
Synonyms	2-[(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropanoic acid
Temperature	308 °C