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4-azido-2-[2-[[2-[[2-[[2-[[2-(benzoylthio)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]ethylamino]-3,5,6-trifluoro-benzoic acid methyl ester

View entire compound with spectra: 2 NMR

4-azido-2-[2-[[2-[[2-[[2-[[2-(benzoylthio)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]ethylamino]-3,5,6-trifluoro-benzoic acid methyl ester
SpectraBase Compound ID 2EOBqUZdgtg
InChI InChI=1S/C25H25F3N8O7S/c1-43-24(41)18-19(26)20(27)23(35-36-29)21(28)22(18)31-8-7-30-14(37)9-32-15(38)10-33-16(39)11-34-17(40)12-44-25(42)13-5-3-2-4-6-13/h2-6,31H,7-12H2,1H3,(H,30,37)(H,32,38)(H,33,39)(H,34,40)
InChIKey HPPLJZCNBZIYIU-UHFFFAOYSA-N
Mol Weight 638.58 g/mol
Molecular Formula C25H25F3N8O7S
Exact Mass 638.151901 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JvElWuTraKn
Name 4-azido-2-[2-[[2-[[2-[[2-[[2-(benzoylthio)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]ethylamino]-3,5,6-trifluoro-benzoic acid methyl ester
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H25F3N8O7S
InChI InChI=1S/C25H25F3N8O7S/c1-43-24(41)18-19(26)20(27)23(35-36-29)21(28)22(18)31-8-7-30-14(37)9-32-15(38)10-33-16(39)11-34-17(40)12-44-25(42)13-5-3-2-4-6-13/h2-6,31H,7-12H2,1H3,(H,30,37)(H,32,38)(H,33,39)(H,34,40)
InChIKey HPPLJZCNBZIYIU-UHFFFAOYSA-N
Literature Reference Author R.RAJAGOPALAN,R.R.KUNTZ,U.SHARMA,W.A.VOLKERT,R.S.PANDURANGI
Literature Reference Citation J.ORG.CHEM.,67,6748(2002)
Literature Reference DOI 10.1021/jo010782u
Molecular Weight 638.578 g/mol
Solvent DMSO
Source File Reference UWSI22081