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N-(PYRIDINE-2-YLMETHYL)-N-[4'-(BENZOTHIAZOL-2-YL)-(PHENYLAMINOACETYL)]-AMINOACETIC-ETHYLESTER
SpectraBase Compound ID LlivoS0RkRx
InChI InChI=1S/C26H26N4O3S/c1-3-33-25(32)17-30(15-21-6-4-5-13-27-21)16-24(31)28-20-10-8-19(9-11-20)26-29-22-12-7-18(2)14-23(22)34-26/h4-14H,3,15-17H2,1-2H3,(H,28,31)
InChIKey OIMNFYSQEMDTER-UHFFFAOYSA-N
Mol Weight 474.58 g/mol
Molecular Formula C26H26N4O3S
Exact Mass 474.172562 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2VXQc41OarU
Name N-(PYRIDINE-2-YLMETHYL)-N-[4'-(BENZOTHIAZOL-2-YL)-(PHENYLAMINOACETYL)]-AMINOACETIC-ETHYLESTER
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H26N4O3S
InChI InChI=1S/C26H26N4O3S/c1-3-33-25(32)17-30(15-21-6-4-5-13-27-21)16-24(31)28-20-10-8-19(9-11-20)26-29-22-12-7-18(2)14-23(22)34-26/h4-14H,3,15-17H2,1-2H3,(H,28,31)
InChIKey OIMNFYSQEMDTER-UHFFFAOYSA-N
Literature Reference Author S.TZANOPOULOU,M.SAGNOU,M.PARAVATOU-PETSOTAS,E.GOURNI,G.JOUDO S,S.XANTHOPOULOS,D.L
Literature Reference Citation J.MED.CHEM.,53,4633(2010)
Literature Reference DOI 10.1021/jm1001293
Molecular Weight 474.577 g/mol
Solvent DMSO-D6
Source File Reference UWMZ46175