[2-((E)-{[(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)amino]methyl}-1H-1,2,3-triazol-4-yl)carbonyl]hydrazono}methyl)phenoxy]acetic acid

SpectraBase Compound ID	4EJXIasB3RD
InChI	InChI=1S/C22H27N9O5/c1-30(15-8-3-2-4-9-15)12-16-19(25-29-31(16)21-20(23)27-36-28-21)22(34)26-24-11-14-7-5-6-10-17(14)35-13-18(32)33/h5-7,10-11,15H,2-4,8-9,12-13H2,1H3,(H2,23,27)(H,26,34)(H,32,33)/b24-11+
InChIKey	LYFNGHKVEAXNBL-BHGWPJFGSA-N Google Search
Mol Weight	497.52 g/mol
Molecular Formula	C22H27N9O5
Exact Mass	497.213515 g/mol

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SpectraBase Spectrum ID	8AcPCWny3Up
Name	[2-((E)-{[(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)amino]methyl}-1H-1,2,3-triazol-4-yl)carbonyl]hydrazono}methyl)phenoxy]acetic 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/C22H27N9O5/c1-30(15-8-3-2-4-9-15)12-16-19(25-29-31(16)21-20(23)27-36-28-21)22(34)26-24-11-14-7-5-6-10-17(14)35-13-18(32)33/h5-7,10-11,15H,2-4,8-9,12-13H2,1H3,(H2,23,27)(H,26,34)(H,32,33)/b24-11+
InChIKey	LYFNGHKVEAXNBL-BHGWPJFGSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_28060
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: D80234; Labnumber: NIG2-1851; SBI_ID: SBI-028064
Synonyms	[2-({[(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)amino]methyl}-1H-1,2,3-triazol-4-yl)carbonyl]hydrazono}methyl)phenoxy]acetic acid
Temperature	318 °C