(2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-4-methylpentanoic acid

SpectraBase Compound ID	H3GPUw0YVJM
InChI	InChI=1S/C16H17N3O3/c1-9(2)7-11(16(20)21)19-15-14-13(17-8-18-15)10-5-3-4-6-12(10)22-14/h3-6,8-9,11H,7H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKey	CKGSKVKUKSPJJZ-UHFFFAOYSA-N Google Search
Mol Weight	299.33 g/mol
Molecular Formula	C16H17N3O3
Exact Mass	299.126991 g/mol

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SpectraBase Spectrum ID	9vQtX2N4lw9
Name	(2S)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-4-methylpentanoic 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/C16H17N3O3/c1-9(2)7-11(16(20)21)19-15-14-13(17-8-18-15)10-5-3-4-6-12(10)22-14/h3-6,8-9,11H,7H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKey	CKGSKVKUKSPJJZ-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_13480
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: D88117; Labnumber: SC_0374-1159; SBI_ID: SBI-013483
Synonyms	2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-4-methylpentanoic acid
Temperature	308 °C