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

SpectraBase Compound ID	18wI4qR35Gd
InChI	InChI=1S/C22H18N4O3/c1-12-24-19-15-7-3-5-9-18(15)29-20(19)21(25-12)26-17(22(27)28)10-13-11-23-16-8-4-2-6-14(13)16/h2-9,11,17,23H,10H2,1H3,(H,27,28)(H,24,25,26)
InChIKey	FXQHDALZUNSVMB-UHFFFAOYSA-N Google Search
Mol Weight	386.41 g/mol
Molecular Formula	C22H18N4O3
Exact Mass	386.13789 g/mol

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SpectraBase Spectrum ID	7dIda6Y6tRI
Name	(2S)-3-(1H-indol-3-yl)-2-[(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]propanoic 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/C22H18N4O3/c1-12-24-19-15-7-3-5-9-18(15)29-20(19)21(25-12)26-17(22(27)28)10-13-11-23-16-8-4-2-6-14(13)16/h2-9,11,17,23H,10H2,1H3,(H,27,28)(H,24,25,26)
InChIKey	FXQHDALZUNSVMB-UHFFFAOYSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_13181
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: D84862; Labnumber: SC_0374-1326; SBI_ID: SBI-013184
Synonyms	3-(1H-indol-3-yl)-2-[(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]propanoic acid
Temperature	306 °C