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[3-[3-(AMIDOMETHYL)-2-METHYL-1-(PHENYLMETHYL)-INDOL-5-YL]-OXY]-PROPYL-PHOSPHONIC-ACID

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[3-[3-(AMIDOMETHYL)-2-METHYL-1-(PHENYLMETHYL)-INDOL-5-YL]-OXY]-PROPYL-PHOSPHONIC-ACID
SpectraBase Compound ID G6eCCYHSQ6H
InChI InChI=1S/C21H25N2O5P/c1-15-18(13-21(22)24)19-12-17(28-10-5-11-29(25,26)27)8-9-20(19)23(15)14-16-6-3-2-4-7-16/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H2,22,24)(H2,25,26,27)
InChIKey AQEYCNKFBRLUOT-UHFFFAOYSA-N
Mol Weight 416.41 g/mol
Molecular Formula C21H25N2O5P
Exact Mass 416.150109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ANBU50ugc5
Name [3-[3-(AMIDOMETHYL)-2-METHYL-1-(PHENYLMETHYL)-INDOL-5-YL]-OXY]-PROPYL-PHOSPHONIC-ACID
Compound Number 28
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H23N2O5P
InChI InChI=1S/C21H25N2O5P/c1-15-18(13-21(22)24)19-12-17(28-10-5-11-29(25,26)27)8-9-20(19)23(15)14-16-6-3-2-4-7-16/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H2,22,24)(H2,25,26,27)
InChIKey AQEYCNKFBRLUOT-UHFFFAOYSA-N
Literature Reference Author A.R.MAGUIRE,S.J.PLUNKETT,S.PAPOT,M.CLYNES,R.O.CONNOR,S.TOUHE Y
Literature Reference Citation BIOORG.MED.CHEM.,9,745(2001)
Literature Reference DOI 10.1016/S0968-0896(00)00292-3
Molecular Weight 414.398 g/mol
Solvent DMSO-D6
Source File Reference UWLU21877