(2S)-3-methyl-2-[(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]pentanoic acid

SpectraBase Compound ID	9TLEOxwgF0Z
InChI	InChI=1S/C17H19N3O3/c1-4-9(2)13(17(21)22)20-16-15-14(18-10(3)19-16)11-7-5-6-8-12(11)23-15/h5-9,13H,4H2,1-3H3,(H,21,22)(H,18,19,20)
InChIKey	VBWVTQZYKNGRSQ-UHFFFAOYSA-N Google Search
Mol Weight	313.36 g/mol
Molecular Formula	C17H19N3O3
Exact Mass	313.142641 g/mol

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SpectraBase Spectrum ID	9e6Q7665ixb
Name	(2S)-3-methyl-2-[(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]pentanoic 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/C17H19N3O3/c1-4-9(2)13(17(21)22)20-16-15-14(18-10(3)19-16)11-7-5-6-8-12(11)23-15/h5-9,13H,4H2,1-3H3,(H,21,22)(H,18,19,20)
InChIKey	VBWVTQZYKNGRSQ-UHFFFAOYSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_13180
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: D84860; Labnumber: SC_0374-1321; SBI_ID: SBI-013183
Synonyms	3-methyl-2-[(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]pentanoic acid
Temperature	306 °C